2-[4-[[3-butyl-4-oxidanylidene-7-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)quinolin-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[3-butyl-4-oxidanylidene-7-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)quinolin-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-butyl-4-oxo-7-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1-quinolyl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-butyl-4-oxo-7-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-quinolinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-butyl-4-oxo-7-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[3-butyl-4-keto-7-(2-keto-2-pyrrolidino-ethyl)-1-quinolyl]methyl]phenyl]benzoic acid Formula: C33H34N2O4 MolecularWeight: 522.63406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C2=C(C1=O)C=CC(=C2)CC(=O)N3CCCC3)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O

Isomeric SMILES

CCCCC1=CN(C2=C(C1=O)C=CC(=C2)CC(=O)N3CCCC3)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C33H34N2O4/c1-2-3-8-26-22-35(21-23-11-14-25(15-12-23)27-9-4-5-10-28(27)33(38)39)30-19-24(13-16-29(30)32(26)37)20-31(36)34-17-6-7-18-34/h4-5,9-16,19,22H,2-3,6-8,17-18,20-21H2,1H3,(H,38,39)