2-(4-cyano-3-methoxy-phenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylic acid

Systemtic Name: 2-(4-cyano-3-methoxy-phenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylic acid Openeye Name: 2-(4-cyano-3-methoxy-phenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylic acid CAS Name: 2-(4-cyano-3-methoxyphenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylic acid IUPAC Name: 2-(4-cyano-3-methoxyphenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylic acid Traditional Name: 2-(4-cyano-3-methoxy-phenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenz[g]indazole-7-carboxylic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2C(C3CCC4=C(C3=N2)C=CC(=C4)C(=O)O)C5CCCC5)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(C3CCC4=C(C3=N2)C=CC(=C4)C(=O)O)C5CCCC5)C#N

InChI

InChI=1S/C25H25N3O3/c1-31-22-13-19(9-6-18(22)14-26)28-24(15-4-2-3-5-15)21-11-7-16-12-17(25(29)30)8-10-20(16)23(21)27-28/h6,8-10,12-13,15,21,24H,2-5,7,11H2,1H3,(H,29,30)