3-phenylpropyl 5-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[2-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pentanoate CAS Name: 5-[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[2-(4-methylpiperazine-1-carbonyl)anilino]-5-oxopentanoate Traditional Name: 5-keto-5-[2-(4-methylpiperazine-1-carbonyl)anilino]valeric acid 3-phenylpropyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4/c1-28-16-18-29(19-17-28)26(32)22-12-5-6-13-23(22)27-24(30)14-7-15-25(31)33-20-8-11-21-9-3-2-4-10-21/h2-6,9-10,12-13H,7-8,11,14-20H2,1H3,(H,27,30)