(phenylmethyl) 5-[3-(dimethylamino)prop-1-ynyl]-2-methyl-1H-indole-3-carboxylate

Systemtic Name: (phenylmethyl) 5-[3-(dimethylamino)prop-1-ynyl]-2-methyl-1H-indole-3-carboxylate Openeye Name: benzyl 5-[3-(dimethylamino)prop-1-ynyl]-2-methyl-1H-indole-3-carboxylate CAS Name: 5-[3-(dimethylamino)prop-1-ynyl]-2-methyl-1H-indole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[3-(dimethylamino)prop-1-ynyl]-2-methyl-1H-indole-3-carboxylate Traditional Name: 5-[3-(dimethylamino)prop-1-ynyl]-2-methyl-1H-indole-3-carboxylic acid benzyl ester Formula: C22H22N2O2 MolecularWeight: 346.42228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)C#CCN(C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)C#CCN(C)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O2/c1-16-21(22(25)26-15-18-8-5-4-6-9-18)19-14-17(10-7-13-24(2)3)11-12-20(19)23-16/h4-6,8-9,11-12,14,23H,13,15H2,1-3H3