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

Systemtic Name: 2-[4-[(3-butyl-4-oxidanylidene-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-butyl-4-oxo-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3-butyl-4-oxo-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-butyl-4-oxo-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-butyl-4-keto-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoic acid Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C2=C(C1=O)CCCC2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCC1=CN(C2=C(C1=O)CCCC2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C27H29NO3/c1-2-3-8-21-18-28(25-12-7-6-11-24(25)26(21)29)17-19-13-15-20(16-14-19)22-9-4-5-10-23(22)27(30)31/h4-5,9-10,13-16,18H,2-3,6-8,11-12,17H2,1H3,(H,30,31)