4-[(4S)-9-methoxycarbonyl-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid

Systemtic Name: 4-[(4S)-9-methoxycarbonyl-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid Openeye Name: 4-[(4S)-9-methoxycarbonyl-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid CAS Name: 4-[(4S)-9-methoxycarbonyl-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid IUPAC Name: 4-[(4S)-9-methoxycarbonyl-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid Traditional Name: 4-[(4S)-9-carbomethoxy-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)OC)C3C=CCC3C(N2)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)OC)C3C=CCC3[C@H](N2)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H21NO4/c1-12-6-11-17(22(26)27-2)18-15-4-3-5-16(15)20(23-19(12)18)13-7-9-14(10-8-13)21(24)25/h3-4,6-11,15-16,20,23H,5H2,1-2H3,(H,24,25)/t15?,16?,20-/m1/s1