ethanedioic acid; (4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone Openeye Name: (4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (4-methoxyphenyl)-[4-(3-phenylpropyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (4-methoxyphenyl)-[4-(3-phenylpropyl)piperazino]methanone; oxalic acid Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O2.C2H2O4/c1-25-20-11-9-19(10-12-20)21(24)23-16-14-22(15-17-23)13-5-8-18-6-3-2-4-7-18;3-1(4)2(5)6/h2-4,6-7,9-12H,5,8,13-17H2,1H3;(H,3,4)(H,5,6)