4-[(8-isoquinolin-4-yl-5,5-dimethyl-8-oxidanyl-6,7-dihydronaphthalen-2-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(8-isoquinolin-4-yl-5,5-dimethyl-8-oxidanyl-6,7-dihydronaphthalen-2-yl)carbonylamino]benzoic acid Openeye Name: 4-[[4-hydroxy-4-(4-isoquinolyl)-1,1-dimethyl-tetralin-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[8-hydroxy-8-(4-isoquinolinyl)-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(8-hydroxy-8-isoquinolin-4-yl-5,5-dimethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid Traditional Name: 4-[[4-hydroxy-4-(4-isoquinolyl)-1,1-dimethyl-tetralin-6-carbonyl]amino]benzoic acid Formula: C29H26N2O4 MolecularWeight: 466.52774

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)(C4=CN=CC5=CC=CC=C54)O)C

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)(C4=CN=CC5=CC=CC=C54)O)C

InChI

InChI=1S/C29H26N2O4/c1-28(2)13-14-29(35,25-17-30-16-20-5-3-4-6-22(20)25)24-15-19(9-12-23(24)28)26(32)31-21-10-7-18(8-11-21)27(33)34/h3-12,15-17,35H,13-14H2,1-2H3,(H,31,32)(H,33,34)