propan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-(3-benzamidobutanoylamino)-3-(2-nitrophenyl)propanoate CAS Name: 3-[(3-benzamido-1-oxobutyl)amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-nitrophenyl)propanoate Traditional Name: 3-(3-benzamidobutanoylamino)-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CC(C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CC(C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H27N3O6/c1-15(2)32-22(28)14-19(18-11-7-8-12-20(18)26(30)31)25-21(27)13-16(3)24-23(29)17-9-5-4-6-10-17/h4-12,15-16,19H,13-14H2,1-3H3,(H,24,29)(H,25,27)