1-(4-chlorophenyl)carbonyl-N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-chlorophenyl)carbonyl-N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(4-chlorobenzoyl)-N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-N-[1-(3,4-dipropoxyphenyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-chlorobenzoyl)-N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(4-chlorobenzoyl)-N-[1-(3,4-dipropoxyphenyl)ethyl]isonipecotamide Formula: C27H35ClN2O4 MolecularWeight: 487.0308

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(C)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)OCCC

InChI

InChI=1S/C27H35ClN2O4/c1-4-16-33-24-11-8-22(18-25(24)34-17-5-2)19(3)29-26(31)20-12-14-30(15-13-20)27(32)21-6-9-23(28)10-7-21/h6-11,18-20H,4-5,12-17H2,1-3H3,(H,29,31)