N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide CAS Name: N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide Traditional Name: N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-1-(4-fluorobenzoyl)nipecotamide Formula: C27H35FN2O4 MolecularWeight: 470.576203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C(C)C)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C(C)C)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)OCC

InChI

InChI=1S/C27H35FN2O4/c1-5-33-23-14-11-20(16-24(23)34-6-2)25(18(3)4)29-26(31)21-8-7-15-30(17-21)27(32)19-9-12-22(28)13-10-19/h9-14,16,18,21,25H,5-8,15,17H2,1-4H3,(H,29,31)