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

Systemtic Name: ethanedioic acid; [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-phenyl-methanone; oxalic acid CAS Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-(3-ethoxy-4-methoxy-benzyl)piperazino]-phenyl-methanone; oxalic acid Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3.C2H2O4/c1-3-26-20-15-17(9-10-19(20)25-2)16-22-11-13-23(14-12-22)21(24)18-7-5-4-6-8-18;3-1(4)2(5)6/h4-10,15H,3,11-14,16H2,1-2H3;(H,3,4)(H,5,6)