ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(1-methylindol-3-yl)propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(1-methylindol-3-yl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(1-methylindol-3-yl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-3-(1-methyl-3-indolyl)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(1-methylindol-3-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)-3-(1-methylindol-3-yl)propanoyl]isonipecotic acid ethyl ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=CN(C5=CC=CC=C54)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=CN(C5=CC=CC=C54)C

InChI

InChI=1S/C27H30N2O5/c1-3-32-27(31)18-10-12-29(13-11-18)26(30)15-21(19-8-9-24-25(14-19)34-17-33-24)22-16-28(2)23-7-5-4-6-20(22)23/h4-9,14,16,18,21H,3,10-13,15,17H2,1-2H3