9-(4-chlorophenyl)carbonyl-6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid

Systemtic Name: 9-(4-chlorophenyl)carbonyl-6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid Openeye Name: 9-(4-chlorobenzoyl)-6-(2-quinolylmethoxy)-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid CAS Name: 9-[(4-chlorophenyl)-oxomethyl]-6-(2-quinolinylmethoxy)-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid IUPAC Name: 9-(4-chlorobenzoyl)-6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid Traditional Name: 9-(4-chlorobenzoyl)-6-(2-quinolylmethoxy)-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid Formula: C30H23ClN2O4 MolecularWeight: 510.96762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)C3=C(N2C(=O)C4=CC=C(C=C4)Cl)C=CC(=C3)OCC5=NC6=CC=CC=C6C=C5)C(=O)O

Isomeric SMILES

C1CC(C2=C(C1)C3=C(N2C(=O)C4=CC=C(C=C4)Cl)C=CC(=C3)OCC5=NC6=CC=CC=C6C=C5)C(=O)O

InChI

InChI=1S/C30H23ClN2O4/c31-20-11-8-19(9-12-20)29(34)33-27-15-14-22(16-25(27)23-5-3-6-24(28(23)33)30(35)36)37-17-21-13-10-18-4-1-2-7-26(18)32-21/h1-2,4,7-16,24H,3,5-6,17H2,(H,35,36)