Methyl 4-[({acetyl[4-(methoxycarbonyl)benzyl]amino}carbonyl)amino]-3-methylbenzoate

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Systematic / IUPAC Name: Methyl 4-({acetyl[4-(methoxycarbonyl)benzyl]carbamoyl}amino)-3-methylbenzoate

ID: Reference6408

Other Names: Benzoic acid, 4-{[(acetyl{[4-(methoxycarbonyl)phenyl]methyl}amino)carbonyl]amino}-3-methyl-, methyl ester

Formula: C21H22N2O6

Spectral Data

Methyl 4-[({acetyl[4-(methoxycarbonyl)benzyl]amino}carbonyl)amino]-3-methylbenzoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/1/2017 8:37:42 AM
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Identificators

InChI InChI=1S/C21H22N2O6/c1-13-11-17(20(26)29-4)9-10-18(13)22-21(27)23(14(2)24)12-15-5-7-16(8-6-15)19(25)28-3/h5-11H,12H2,1-4H3,(H,22,27)
InChI Key WYSUBJGICBBBIK-UHFFFAOYSA-N
Canonical SMILES CC1=C(C=CC(=C1)C(=O)OC)NC(=O)N(CC2=CC=C(C=C2)C(=O)OC)C(=O)C
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Other Names Benzoic acid, 4-{[(acetyl{[4-(methoxycarbonyl)phenyl]methyl}amino)carbonyl]amino}-3-methyl-, methyl ester

In Other Databases

ChemSpider 2101460
PubChem 2823248