2-butyl-3-(2-methoxycarbonylcyclopenten-1-yl)-1-[(4-phenylphenyl)methyl]indole-6-carboxylic acid

Systemtic Name: 2-butyl-3-(2-methoxycarbonylcyclopenten-1-yl)-1-[(4-phenylphenyl)methyl]indole-6-carboxylic acid Openeye Name: 2-butyl-3-(2-methoxycarbonylcyclopenten-1-yl)-1-[(4-phenylphenyl)methyl]indole-6-carboxylic acid CAS Name: 2-butyl-3-(2-methoxycarbonyl-1-cyclopentenyl)-1-[(4-phenylphenyl)methyl]-6-indolecarboxylic acid IUPAC Name: 2-butyl-3-(2-methoxycarbonylcyclopenten-1-yl)-1-[(4-phenylphenyl)methyl]indole-6-carboxylic acid Traditional Name: 2-butyl-3-(2-carbomethoxycyclopenten-1-yl)-1-(4-phenylbenzyl)indole-6-carboxylic acid Formula: C33H33NO4 MolecularWeight: 507.61942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4)C=C(C=C2)C(=O)O)C5=C(CCC5)C(=O)OC

Isomeric SMILES

CCCCC1=C(C2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4)C=C(C=C2)C(=O)O)C5=C(CCC5)C(=O)OC

InChI

InChI=1S/C33H33NO4/c1-3-4-13-29-31(26-11-8-12-27(26)33(37)38-2)28-19-18-25(32(35)36)20-30(28)34(29)21-22-14-16-24(17-15-22)23-9-6-5-7-10-23/h5-7,9-10,14-20H,3-4,8,11-13,21H2,1-2H3,(H,35,36)