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

Systemtic Name: 3-(2-methoxycarbonylcyclopenten-1-yl)-1-[(4-methoxycarbonylphenyl)methyl]-2-phenethyl-indole-6-carboxylic acid Openeye Name: 3-(2-methoxycarbonylcyclopenten-1-yl)-1-[(4-methoxycarbonylphenyl)methyl]-2-phenethyl-indole-6-carboxylic acid CAS Name: 3-(2-methoxycarbonyl-1-cyclopentenyl)-1-[(4-methoxycarbonylphenyl)methyl]-2-phenethyl-6-indolecarboxylic acid IUPAC Name: 3-(2-methoxycarbonylcyclopenten-1-yl)-1-[(4-methoxycarbonylphenyl)methyl]-2-phenethylindole-6-carboxylic acid Traditional Name: 1-(4-carbomethoxybenzyl)-3-(2-carbomethoxycyclopenten-1-yl)-2-phenethyl-indole-6-carboxylic acid Formula: C33H31NO6 MolecularWeight: 537.60234

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CCC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC4=CC=C(C=C4)C(=O)OC)CCC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(CCC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC4=CC=C(C=C4)C(=O)OC)CCC5=CC=CC=C5

InChI

InChI=1S/C33H31NO6/c1-39-32(37)23-14-11-22(12-15-23)20-34-28(18-13-21-7-4-3-5-8-21)30(25-9-6-10-26(25)33(38)40-2)27-17-16-24(31(35)36)19-29(27)34/h3-5,7-8,11-12,14-17,19H,6,9-10,13,18,20H2,1-2H3,(H,35,36)