3-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide

Systemtic Name: 3-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide Openeye Name: 3-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide CAS Name: 3-[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-N-(4-ethylphenyl)-1-piperidinecarboxamide IUPAC Name: 3-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide Traditional Name: N-(4-ethylphenyl)-3-[3-(piperonylcarbamoyl)phenyl]piperidine-1-carboxamide Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N2CCCC(C2)C3=CC=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N2CCCC(C2)C3=CC=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H31N3O4/c1-2-20-8-11-25(12-9-20)31-29(34)32-14-4-7-24(18-32)22-5-3-6-23(16-22)28(33)30-17-21-10-13-26-27(15-21)36-19-35-26/h3,5-6,8-13,15-16,24H,2,4,7,14,17-19H2,1H3,(H,30,33)(H,31,34)