ethanedioic acid; (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-prop-2-enamide

Systemtic Name: ethanedioic acid; (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-prop-2-enamide; oxalic acid CAS Name: (E)-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-3-phenyl-2-propenamide; oxalic acid IUPAC Name: (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenylprop-2-enamide; oxalic acid Traditional Name: (E)-N-[4-[4-(2-methoxyphenyl)piperazino]butyl]-3-phenyl-acrylamide; oxalic acid Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C=CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)/C=C/C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H31N3O2.C2H2O4/c1-29-23-12-6-5-11-22(23)27-19-17-26(18-20-27)16-8-7-15-25-24(28)14-13-21-9-3-2-4-10-21;3-1(4)2(5)6/h2-6,9-14H,7-8,15-20H2,1H3,(H,25,28);(H,3,4)(H,5,6)/b14-13+;