ethyl 4-[3-(7-ethyl-1H-indol-3-yl)-3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(7-ethyl-1H-indol-3-yl)-3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(7-ethyl-1H-indol-3-yl)-3-(p-tolyl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(7-ethyl-1H-indol-3-yl)-3-(4-methylphenyl)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(7-ethyl-1H-indol-3-yl)-3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(7-ethyl-1H-indol-3-yl)-3-(p-tolyl)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCN(CC3)C(=O)OCC)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCN(CC3)C(=O)OCC)C4=CC=C(C=C4)C

InChI

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