[2-[[3-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-benzamido-3-phenyl-propanoate

Systemtic Name: [2-[[3-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-benzamido-3-phenyl-propanoate Openeye Name: [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl] 3-benzamido-3-phenyl-propanoate CAS Name: 3-benzamido-3-phenylpropanoic acid [2-[3-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate Traditional Name: 3-benzamido-3-phenyl-propionic acid [2-[3-(cyclopropylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)COC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)COC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O5/c32-25(29-23-13-7-12-21(16-23)28(35)30-22-14-15-22)18-36-26(33)17-24(19-8-3-1-4-9-19)31-27(34)20-10-5-2-6-11-20/h1-13,16,22,24H,14-15,17-18H2,(H,29,32)(H,30,35)(H,31,34)