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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=CN(C5=CC=CC=C54)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)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)19-7-6-12-29(15-19)26(30)14-21(18-10-11-24-25(13-18)34-17-33-24)22-16-28(2)23-9-5-4-8-20(22)23/h4-5,8-11,13,16,19,21H,3,6-7,12,14-15,17H2,1-2H3