(phenylmethyl) 2-methyl-5-(3-oxidanylpropyl)-1H-indole-3-carboxylate

Systemtic Name: (phenylmethyl) 2-methyl-5-(3-oxidanylpropyl)-1H-indole-3-carboxylate Openeye Name: benzyl 5-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxylate CAS Name: 5-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxylate Traditional Name: 5-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxylic acid benzyl ester Formula: C20H21NO3 MolecularWeight: 323.38564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)CCCO)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)CCCO)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO3/c1-14-19(20(23)24-13-16-6-3-2-4-7-16)17-12-15(8-5-11-22)9-10-18(17)21-14/h2-4,6-7,9-10,12,21-22H,5,8,11,13H2,1H3