2-[[6-butyl-3-(4-methylpiperazin-1-yl)carbonyl-2-oxidanylidene-pyridin-1-yl]methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[[6-butyl-3-(4-methylpiperazin-1-yl)carbonyl-2-oxidanylidene-pyridin-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[6-butyl-3-(4-methylpiperazine-1-carbonyl)-2-oxo-1-pyridyl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[6-butyl-3-[(4-methyl-1-piperazinyl)-oxomethyl]-2-oxo-1-pyridinyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[6-butyl-3-(4-methylpiperazine-1-carbonyl)-2-oxopyridin-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[[6-butyl-2-keto-3-(4-methylpiperazine-1-carbonyl)-1-pyridyl]methyl]-6-phenyl-benzoic acid Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)C(=O)N4CCN(CC4)C

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C29H33N3O4/c1-3-4-12-23-14-15-25(27(33)31-18-16-30(2)17-19-31)28(34)32(23)20-22-11-8-13-24(26(22)29(35)36)21-9-6-5-7-10-21/h5-11,13-15H,3-4,12,16-20H2,1-2H3,(H,35,36)