2-[4-[(3-butyl-6-methyl-4-oxidanylidene-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(3-butyl-6-methyl-4-oxidanylidene-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-butyl-6-methyl-4-oxo-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3-butyl-6-methyl-4-oxo-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-butyl-6-methyl-4-oxo-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-butyl-4-keto-6-methyl-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoic acid Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C2=C(C1=O)CC(CC2)C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCC1=CN(C2=C(C1=O)CC(CC2)C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C28H31NO3/c1-3-4-7-22-18-29(26-15-10-19(2)16-25(26)27(22)30)17-20-11-13-21(14-12-20)23-8-5-6-9-24(23)28(31)32/h5-6,8-9,11-14,18-19H,3-4,7,10,15-17H2,1-2H3,(H,31,32)