4-[(5,5-dimethyl-8-quinolin-3-yl-7,8-dihydro-6H-naphthalen-2-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(5,5-dimethyl-8-quinolin-3-yl-7,8-dihydro-6H-naphthalen-2-yl)carbonylamino]benzoic acid Openeye Name: 4-[[1,1-dimethyl-4-(3-quinolyl)tetralin-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[5,5-dimethyl-8-(3-quinolinyl)-7,8-dihydro-6H-naphthalen-2-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(5,5-dimethyl-8-quinolin-3-yl-7,8-dihydro-6H-naphthalene-2-carbonyl)amino]benzoic acid Traditional Name: 4-[[1,1-dimethyl-4-(3-quinolyl)tetralin-6-carbonyl]amino]benzoic acid Formula: C29H26N2O3 MolecularWeight: 450.52834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC5=CC=CC=C5N=C4)C

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC5=CC=CC=C5N=C4)C

InChI

InChI=1S/C29H26N2O3/c1-29(2)14-13-23(21-15-19-5-3-4-6-26(19)30-17-21)24-16-20(9-12-25(24)29)27(32)31-22-10-7-18(8-11-22)28(33)34/h3-12,15-17,23H,13-14H2,1-2H3,(H,31,32)(H,33,34)