ethanedioic acid; 1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: ethanedioic acid; 1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-2,2-diphenyl-ethanone; oxalic acid CAS Name: 1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazinyl]-2,2-diphenylethanone; oxalic acid IUPAC Name: 1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]-2,2-diphenylethanone; oxalic acid Traditional Name: 1-[4-(3-ethoxy-4-methoxy-benzyl)piperazino]-2,2-diphenyl-ethanone; oxalic acid Formula: C30H34N2O7 MolecularWeight: 534.60016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H32N2O3.C2H2O4/c1-3-33-26-20-22(14-15-25(26)32-2)21-29-16-18-30(19-17-29)28(31)27(23-10-6-4-7-11-23)24-12-8-5-9-13-24;3-1(4)2(5)6/h4-15,20,27H,3,16-19,21H2,1-2H3;(H,3,4)(H,5,6)