ethyl 5-[3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-[3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]-1H-indole-2-carboxylate Openeye Name: ethyl 5-[3-[4-(o-tolyl)piperazin-1-yl]propoxy]-1H-indole-2-carboxylate CAS Name: 5-[3-[4-(2-methylphenyl)-1-piperazinyl]propoxy]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]-1H-indole-2-carboxylate Traditional Name: 5-[3-[4-(o-tolyl)piperazino]propoxy]-1H-indole-2-carboxylic acid ethyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OCCCN3CCN(CC3)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OCCCN3CCN(CC3)C4=CC=CC=C4C

InChI

InChI=1S/C25H31N3O3/c1-3-30-25(29)23-18-20-17-21(9-10-22(20)26-23)31-16-6-11-27-12-14-28(15-13-27)24-8-5-4-7-19(24)2/h4-5,7-10,17-18,26H,3,6,11-16H2,1-2H3