[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl 2-(2-cyanophenyl)indole-1-carboxylate

Systemtic Name: [2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl 2-(2-cyanophenyl)indole-1-carboxylate Openeye Name: [2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl 2-(2-cyanophenyl)indole-1-carboxylate CAS Name: 2-(2-cyanophenyl)-1-indolecarboxylic acid [2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl ester IUPAC Name: [2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl 2-(2-cyanophenyl)indole-1-carboxylate Traditional Name: 2-(2-cyanophenyl)indole-1-carboxylic acid (2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl ester Formula: C25H23ClN4O3 MolecularWeight: 462.92812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1COC(=O)N2C3=CC=CC=C3C=C2C4=CC=CC=C4C#N)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1COC(=O)N2C3=CC=CC=C3C=C2C4=CC=CC=C4C#N)CO)Cl

InChI

InChI=1S/C25H23ClN4O3/c1-2-3-12-23-28-24(26)22(15-31)29(23)16-33-25(32)30-20-11-7-5-8-17(20)13-21(30)19-10-6-4-9-18(19)14-27/h4-11,13,31H,2-3,12,15-16H2,1H3