3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-(2-propoxyphenyl)piperidine-4-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-(2-propoxyphenyl)piperidine-4-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-(2-propoxyphenyl)piperidine-4-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-(2-propoxyphenyl)-4-piperidinecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-(2-propoxyphenyl)piperidine-4-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-(2-propoxyphenyl)isonipecotic acid Formula: C29H31NO6 MolecularWeight: 489.55954

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1N2CC(C(C(C2)C3=CC4=C(C=C3)OCO4)C(=O)O)C5=CC=C(C=C5)OC

Isomeric SMILES

CCCOC1=CC=CC=C1N2CC(C(C(C2)C3=CC4=C(C=C3)OCO4)C(=O)O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H31NO6/c1-3-14-34-25-7-5-4-6-24(25)30-16-22(19-8-11-21(33-2)12-9-19)28(29(31)32)23(17-30)20-10-13-26-27(15-20)36-18-35-26/h4-13,15,22-23,28H,3,14,16-18H2,1-2H3,(H,31,32)