N-cyclopentyl-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidine-4-carboxamide; ethanedioic acid

Systemtic Name: N-cyclopentyl-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidine-4-carboxamide; ethanedioic acid Openeye Name: N-cyclopentyl-1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidine-4-carboxamide; oxalic acid CAS Name: N-cyclopentyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-piperidinecarboxamide; oxalic acid IUPAC Name: N-cyclopentyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide; oxalic acid Traditional Name: N-cyclopentyl-1-vanillyl-isonipecotamide; oxalic acid Formula: C21H30N2O7 MolecularWeight: 422.4721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)NC3CCCC3)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)NC3CCCC3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O3.C2H2O4/c1-24-18-12-14(6-7-17(18)22)13-21-10-8-15(9-11-21)19(23)20-16-4-2-3-5-16;3-1(4)2(5)6/h6-7,12,15-16,22H,2-5,8-11,13H2,1H3,(H,20,23);(H,3,4)(H,5,6)