ethyl 4-[3-(1-ethylindol-3-yl)-3-(3-methylphenyl)propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(1-ethylindol-3-yl)-3-(3-methylphenyl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(1-ethylindol-3-yl)-3-(m-tolyl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(1-ethyl-3-indolyl)-3-(3-methylphenyl)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1-ethylindol-3-yl)-3-(3-methylphenyl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(1-ethylindol-3-yl)-3-(m-tolyl)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCN(CC3)C(=O)OCC)C4=CC=CC(=C4)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCN(CC3)C(=O)OCC)C4=CC=CC(=C4)C

InChI

InChI=1S/C27H33N3O3/c1-4-28-19-24(22-11-6-7-12-25(22)28)23(21-10-8-9-20(3)17-21)18-26(31)29-13-15-30(16-14-29)27(32)33-5-2/h6-12,17,19,23H,4-5,13-16,18H2,1-3H3