methyl 3-(2-hydroxyethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylate

Systemtic Name: methyl 3-(2-hydroxyethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylate Openeye Name: methyl 3-(2-hydroxyethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylate CAS Name: 3-(2-hydroxyethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-hydroxyethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylate Traditional Name: 3-(2-hydroxyethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylic acid methyl ester Formula: C15H16N4O3 MolecularWeight: 300.31254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)CN3C=NC=N3)CCO

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)CN3C=NC=N3)CCO

InChI

InChI=1S/C15H16N4O3/c1-22-15(21)14-11(4-5-20)12-6-10(2-3-13(12)18-14)7-19-9-16-8-17-19/h2-3,6,8-9,18,20H,4-5,7H2,1H3