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

Systemtic Name: ethyl 4-[[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)anilino]-4-oxo-butanoate CAS Name: 4-[2-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)anilino]-4-oxobutanoate Traditional Name: 4-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)anilino]-4-keto-butyric acid ethyl ester Formula: C30H34N3O4+ MolecularWeight: 500.60866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H33N3O4/c1-2-37-28(35)18-17-27(34)31-26-16-10-9-15-25(26)30(36)33-21-19-32(20-22-33)29(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,29H,2,17-22H2,1H3,(H,31,34)/p+1