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

Systemtic Name: ethyl 4-[3-(1H-indol-3-yl)-3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(1H-indol-3-yl)-3-(p-tolyl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(1H-indol-3-yl)-3-(4-methylphenyl)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1H-indol-3-yl)-3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(1H-indol-3-yl)-3-(p-tolyl)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC(C2=CC=C(C=C2)C)C3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC(C2=CC=C(C=C2)C)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H29N3O3/c1-3-31-25(30)28-14-12-27(13-15-28)24(29)16-21(19-10-8-18(2)9-11-19)22-17-26-23-7-5-4-6-20(22)23/h4-11,17,21,26H,3,12-16H2,1-2H3