ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=CNC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H27N3O5/c1-2-31-25(30)28-11-9-27(10-12-28)24(29)14-19(17-7-8-22-23(13-17)33-16-32-22)20-15-26-21-6-4-3-5-18(20)21/h3-8,13,15,19,26H,2,9-12,14,16H2,1H3