ethyl 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxylate Traditional Name: 4-benzyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]isonipecotic acid ethyl ester Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC3=C(C(=C2)OC)OCO3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC3=C(C(=C2)OC)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29NO5/c1-3-28-23(26)24(15-18-7-5-4-6-8-18)9-11-25(12-10-24)16-19-13-20(27-2)22-21(14-19)29-17-30-22/h4-8,13-14H,3,9-12,15-17H2,1-2H3