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

Systemtic Name: ethyl 4-[3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(1,3-benzodioxol-4-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=C3C(=CC=C2)OCO3)C4=CNC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC(C2=C3C(=CC=C2)OCO3)C4=CNC5=CC=CC=C54

InChI

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