ethyl 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-1-benzyl-5-(4-methoxyphenyl)piperidine-4-carboxylate CAS Name: 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-1-benzyl-5-(4-methoxyphenyl)piperidine-4-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-benzyl-5-(4-methoxyphenyl)isonipecotic acid ethyl ester Formula: C29H31NO5 MolecularWeight: 473.56014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CN(CC1C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC(=O)C1C(CN(CC1C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H31NO5/c1-3-33-29(31)28-24(21-9-12-23(32-2)13-10-21)17-30(16-20-7-5-4-6-8-20)18-25(28)22-11-14-26-27(15-22)35-19-34-26/h4-15,24-25,28H,3,16-19H2,1-2H3