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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CC=C(C=C1)NC(=O)CCCNC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CNC(=O)C1=CC=C(C=C1)NC(=O)CCCNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O5/c1-29-19(26)14-23-21(28)16-9-11-17(12-10-16)24-18(25)8-5-13-22-20(27)15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,22,27)(H,23,28)(H,24,25)