ethanedioic acid; [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone

Systemtic Name: ethanedioic acid; [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone Openeye Name: [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid CAS Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazinyl]-(4-phenylphenyl)methanone; oxalic acid IUPAC Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid Traditional Name: [4-(3-ethoxy-4-methoxy-benzyl)piperazino]-(4-phenylphenyl)methanone; oxalic acid Formula: C29H32N2O7 MolecularWeight: 520.57358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O3.C2H2O4/c1-3-32-26-19-21(9-14-25(26)31-2)20-28-15-17-29(18-16-28)27(30)24-12-10-23(11-13-24)22-7-5-4-6-8-22;3-1(4)2(5)6/h4-14,19H,3,15-18,20H2,1-2H3;(H,3,4)(H,5,6)