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

Systemtic Name: ethyl 1-[3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)propanoyl]nipecotic acid ethyl ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CC(C2=C3C(=CC=C2)OCO3)C4=CNC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CC(C2=C3C(=CC=C2)OCO3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H28N2O5/c1-2-31-26(30)17-7-6-12-28(15-17)24(29)13-20(19-9-5-11-23-25(19)33-16-32-23)21-14-27-22-10-4-3-8-18(21)22/h3-5,8-11,14,17,20,27H,2,6-7,12-13,15-16H2,1H3