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

Systemtic Name: phenethyl 4-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[2-(4-benzhydrylpiperazine-1-carbonyl)anilino]-4-oxo-butanoate CAS Name: 4-[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[2-(4-benzhydrylpiperazine-1-carbonyl)anilino]-4-oxobutanoate Traditional Name: 4-[2-(4-benzhydrylpiperazine-1-carbonyl)anilino]-4-keto-butyric acid phenethyl ester Formula: C36H37N3O4 MolecularWeight: 575.69668

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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)OCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=O)CCC(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C36H37N3O4/c40-33(20-21-34(41)43-27-22-28-12-4-1-5-13-28)37-32-19-11-10-18-31(32)36(42)39-25-23-38(24-26-39)35(29-14-6-2-7-15-29)30-16-8-3-9-17-30/h1-19,35H,20-27H2,(H,37,40)