2-[4-[[3-butyl-6-(indol-1-ylmethyl)-4-oxidanylidene-quinolin-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[3-butyl-6-(indol-1-ylmethyl)-4-oxidanylidene-quinolin-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-butyl-6-(indol-1-ylmethyl)-4-oxo-1-quinolyl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-butyl-6-(1-indolylmethyl)-4-oxo-1-quinolinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-butyl-6-(indol-1-ylmethyl)-4-oxoquinolin-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[3-butyl-6-(indol-1-ylmethyl)-4-keto-1-quinolyl]methyl]phenyl]benzoic acid Formula: C36H32N2O3 MolecularWeight: 540.65088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C2=C(C1=O)C=C(C=C2)CN3C=CC4=CC=CC=C43)CC5=CC=C(C=C5)C6=CC=CC=C6C(=O)O

Isomeric SMILES

CCCCC1=CN(C2=C(C1=O)C=C(C=C2)CN3C=CC4=CC=CC=C43)CC5=CC=C(C=C5)C6=CC=CC=C6C(=O)O

InChI

InChI=1S/C36H32N2O3/c1-2-3-8-29-24-38(22-25-13-16-27(17-14-25)30-10-5-6-11-31(30)36(40)41)34-18-15-26(21-32(34)35(29)39)23-37-20-19-28-9-4-7-12-33(28)37/h4-7,9-21,24H,2-3,8,22-23H2,1H3,(H,40,41)