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

Systemtic Name: 3-phenylpropyl 4-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[2-(4-methylpiperazine-1-carbonyl)anilino]-4-oxo-butanoate CAS Name: 4-[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-(4-methylpiperazine-1-carbonyl)anilino]-4-oxobutanoate Traditional Name: 4-keto-4-[2-(4-methylpiperazine-1-carbonyl)anilino]butyric acid 3-phenylpropyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O4/c1-27-15-17-28(18-16-27)25(31)21-11-5-6-12-22(21)26-23(29)13-14-24(30)32-19-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-12H,7,10,13-19H2,1H3,(H,26,29)