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

Systemtic Name: 2-[4-[(3-butyl-4-oxidanylidene-7-pyrrolidin-1-ylcarbonyl-quinolin-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-butyl-4-oxo-7-(pyrrolidine-1-carbonyl)-1-quinolyl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-butyl-4-oxo-7-[oxo(1-pyrrolidinyl)methyl]-1-quinolinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-butyl-4-oxo-7-(pyrrolidine-1-carbonyl)quinolin-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[3-butyl-4-keto-7-(pyrrolidine-1-carbonyl)-1-quinolyl]methyl]phenyl]benzoic acid Formula: C32H32N2O4 MolecularWeight: 508.60748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H32N2O4/c1-2-3-8-25-21-34(20-22-11-13-23(14-12-22)26-9-4-5-10-27(26)32(37)38)29-19-24(15-16-28(29)30(25)35)31(36)33-17-6-7-18-33/h4-5,9-16,19,21H,2-3,6-8,17-18,20H2,1H3,(H,37,38)