ethyl 1-[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-pyrrol-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-pyrrol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-pyrrole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-3-pyrrolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenylpyrrole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-pyrrole-3-carbonyl]nipecotic acid ethyl ester Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(C(=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(C(=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C27H28N2O5/c1-3-32-27(31)20-10-7-13-28(16-20)26(30)22-15-23(19-8-5-4-6-9-19)29(18(22)2)21-11-12-24-25(14-21)34-17-33-24/h4-6,8-9,11-12,14-15,20H,3,7,10,13,16-17H2,1-2H3