1-(carboxymethyl)-3-cyclohexyl-2-(1H-pyrrol-2-yl)indole-6-carboxylic acid

Systemtic Name: 1-(carboxymethyl)-3-cyclohexyl-2-(1H-pyrrol-2-yl)indole-6-carboxylic acid Openeye Name: 1-(carboxymethyl)-3-cyclohexyl-2-(1H-pyrrol-2-yl)indole-6-carboxylic acid CAS Name: 1-(carboxymethyl)-3-cyclohexyl-2-(1H-pyrrol-2-yl)-6-indolecarboxylic acid IUPAC Name: 1-(carboxymethyl)-3-cyclohexyl-2-(1H-pyrrol-2-yl)indole-6-carboxylic acid Traditional Name: 1-(carboxymethyl)-3-cyclohexyl-2-(1H-pyrrol-2-yl)indole-6-carboxylic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)O)C4=CC=CN4

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)O)C4=CC=CN4

InChI

InChI=1S/C21H22N2O4/c24-18(25)12-23-17-11-14(21(26)27)8-9-15(17)19(13-5-2-1-3-6-13)20(23)16-7-4-10-22-16/h4,7-11,13,22H,1-3,5-6,12H2,(H,24,25)(H,26,27)