ethanedioic acid; N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-phenyl-cyclopropane-1-carboxamide

Systemtic Name: ethanedioic acid; N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-phenyl-cyclopropane-1-carboxamide Openeye Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-phenyl-cyclopropanecarboxamide; oxalic acid CAS Name: N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-2-phenyl-1-cyclopropanecarboxamide; oxalic acid IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-phenylcyclopropane-1-carboxamide; oxalic acid Traditional Name: N-[4-[4-(2-methoxyphenyl)piperazino]butyl]-2-phenyl-cyclopropanecarboxamide; oxalic acid Formula: C27H35N3O6 MolecularWeight: 497.5833

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3CC3C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3CC3C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H33N3O2.C2H2O4/c1-30-24-12-6-5-11-23(24)28-17-15-27(16-18-28)14-8-7-13-26-25(29)22-19-21(22)20-9-3-2-4-10-20;3-1(4)2(5)6/h2-6,9-12,21-22H,7-8,13-19H2,1H3,(H,26,29);(H,3,4)(H,5,6)