methyl 2-[[4-(3-benzamidobutanoylamino)phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-(3-benzamidobutanoylamino)phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-(3-benzamidobutanoylamino)benzoyl]amino]acetate CAS Name: 2-[[[4-[(3-benzamido-1-oxobutyl)amino]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(3-benzamidobutanoylamino)benzoyl]amino]acetate Traditional Name: 2-[[4-(3-benzamidobutanoylamino)benzoyl]amino]acetic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=C(C=C1)C(=O)NCC(=O)OC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)NC1=CC=C(C=C1)C(=O)NCC(=O)OC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O5/c1-14(23-21(28)15-6-4-3-5-7-15)12-18(25)24-17-10-8-16(9-11-17)20(27)22-13-19(26)29-2/h3-11,14H,12-13H2,1-2H3,(H,22,27)(H,23,28)(H,24,25)