(3,5-dimethoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone; ethanedioic acid

Systemtic Name: (3,5-dimethoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone; ethanedioic acid Openeye Name: (3,5-dimethoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (3,5-dimethoxyphenyl)-[4-(3-phenylpropyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3,5-dimethoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (3,5-dimethoxyphenyl)-[4-(3-phenylpropyl)piperazino]methanone; oxalic acid Formula: C24H30N2O7 MolecularWeight: 458.5042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3.C2H2O4/c1-26-20-15-19(16-21(17-20)27-2)22(25)24-13-11-23(12-14-24)10-6-9-18-7-4-3-5-8-18;3-1(4)2(5)6/h3-5,7-8,15-17H,6,9-14H2,1-2H3;(H,3,4)(H,5,6)