3-cyclohexyl-1-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-2-phenyl-indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-2-phenyl-indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]-2-oxo-ethyl]-2-phenyl-indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]-2-phenyl-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]-2-phenylindole-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-[2-keto-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]ethyl]-2-phenyl-indole-6-carboxylic acid Formula: C28H31N5O3 MolecularWeight: 485.57744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)CCNC(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CC1=NC(=NN1)CCNC(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C28H31N5O3/c1-18-30-24(32-31-18)14-15-29-25(34)17-33-23-16-21(28(35)36)12-13-22(23)26(19-8-4-2-5-9-19)27(33)20-10-6-3-7-11-20/h3,6-7,10-13,16,19H,2,4-5,8-9,14-15,17H2,1H3,(H,29,34)(H,35,36)(H,30,31,32)