1-(carboxymethyl)-3-(2-methoxycarbonylcyclopenten-1-yl)-2-phenethyl-indole-6-carboxylic acid

Systemtic Name: 1-(carboxymethyl)-3-(2-methoxycarbonylcyclopenten-1-yl)-2-phenethyl-indole-6-carboxylic acid Openeye Name: 1-(carboxymethyl)-3-(2-methoxycarbonylcyclopenten-1-yl)-2-phenethyl-indole-6-carboxylic acid CAS Name: 1-(carboxymethyl)-3-(2-methoxycarbonyl-1-cyclopentenyl)-2-phenethyl-6-indolecarboxylic acid IUPAC Name: 1-(carboxymethyl)-3-(2-methoxycarbonylcyclopenten-1-yl)-2-phenethylindole-6-carboxylic acid Traditional Name: 3-(2-carbomethoxycyclopenten-1-yl)-1-(carboxymethyl)-2-phenethyl-indole-6-carboxylic acid Formula: C26H25NO6 MolecularWeight: 447.4798

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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)CC(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(CCC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H25NO6/c1-33-26(32)19-9-5-8-18(19)24-20-12-11-17(25(30)31)14-22(20)27(15-23(28)29)21(24)13-10-16-6-3-2-4-7-16/h2-4,6-7,11-12,14H,5,8-10,13,15H2,1H3,(H,28,29)(H,30,31)