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

Systemtic Name: 2-butyl-3-(2-methoxycarbonylcyclopenten-1-yl)-1-[(4-methoxycarbonylphenyl)methyl]indole-6-carboxylic acid Openeye Name: 2-butyl-3-(2-methoxycarbonylcyclopenten-1-yl)-1-[(4-methoxycarbonylphenyl)methyl]indole-6-carboxylic acid CAS Name: 2-butyl-3-(2-methoxycarbonyl-1-cyclopentenyl)-1-[(4-methoxycarbonylphenyl)methyl]-6-indolecarboxylic acid IUPAC Name: 2-butyl-3-(2-methoxycarbonylcyclopenten-1-yl)-1-[(4-methoxycarbonylphenyl)methyl]indole-6-carboxylic acid Traditional Name: 2-butyl-1-(4-carbomethoxybenzyl)-3-(2-carbomethoxycyclopenten-1-yl)indole-6-carboxylic acid Formula: C29H31NO6 MolecularWeight: 489.55954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(N1CC3=CC=C(C=C3)C(=O)OC)C=C(C=C2)C(=O)O)C4=C(CCC4)C(=O)OC

Isomeric SMILES

CCCCC1=C(C2=C(N1CC3=CC=C(C=C3)C(=O)OC)C=C(C=C2)C(=O)O)C4=C(CCC4)C(=O)OC

InChI

InChI=1S/C29H31NO6/c1-4-5-9-24-26(21-7-6-8-22(21)29(34)36-3)23-15-14-20(27(31)32)16-25(23)30(24)17-18-10-12-19(13-11-18)28(33)35-2/h10-16H,4-9,17H2,1-3H3,(H,31,32)