3-aminocarbonyl-6-(1-cyclohexylethyl)-5-methyl-4-oxidanyl-1-phenoxy-indole-2-carboxylic acid

Systemtic Name: 3-aminocarbonyl-6-(1-cyclohexylethyl)-5-methyl-4-oxidanyl-1-phenoxy-indole-2-carboxylic acid Openeye Name: 3-carbamoyl-6-(1-cyclohexylethyl)-4-hydroxy-5-methyl-1-phenoxy-indole-2-carboxylic acid CAS Name: 3-carbamoyl-6-(1-cyclohexylethyl)-4-hydroxy-5-methyl-1-phenoxy-2-indolecarboxylic acid IUPAC Name: 3-carbamoyl-6-(1-cyclohexylethyl)-4-hydroxy-5-methyl-1-phenoxyindole-2-carboxylic acid Traditional Name: 3-carbamoyl-6-(1-cyclohexylethyl)-4-hydroxy-5-methyl-1-phenoxy-indole-2-carboxylic acid Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1C(C)C3CCCCC3)N(C(=C2C(=O)N)C(=O)O)OC4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C2=C(C=C1C(C)C3CCCCC3)N(C(=C2C(=O)N)C(=O)O)OC4=CC=CC=C4)O

InChI

InChI=1S/C25H28N2O5/c1-14(16-9-5-3-6-10-16)18-13-19-20(23(28)15(18)2)21(24(26)29)22(25(30)31)27(19)32-17-11-7-4-8-12-17/h4,7-8,11-14,16,28H,3,5-6,9-10H2,1-2H3,(H2,26,29)(H,30,31)