3-phenylpropyl 4-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[2-(4-benzhydrylpiperazine-1-carbonyl)anilino]-4-oxo-butanoate CAS Name: 4-[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-(4-benzhydrylpiperazine-1-carbonyl)anilino]-4-oxobutanoate Traditional Name: 4-[2-(4-benzhydrylpiperazine-1-carbonyl)anilino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C37H39N3O4 MolecularWeight: 589.72326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=O)CCC(=O)OCCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=O)CCC(=O)OCCCC5=CC=CC=C5

InChI

InChI=1S/C37H39N3O4/c41-34(22-23-35(42)44-28-12-15-29-13-4-1-5-14-29)38-33-21-11-10-20-32(33)37(43)40-26-24-39(25-27-40)36(30-16-6-2-7-17-30)31-18-8-3-9-19-31/h1-11,13-14,16-21,36H,12,15,22-28H2,(H,38,41)