ethanedioic acid; [4-(2-methoxyphenyl)-1-(3-phenylbutyl)piperazin-2-yl]-phenyl-methanone

Systemtic Name: ethanedioic acid; [4-(2-methoxyphenyl)-1-(3-phenylbutyl)piperazin-2-yl]-phenyl-methanone Openeye Name: [4-(2-methoxyphenyl)-1-(3-phenylbutyl)piperazin-2-yl]-phenyl-methanone; oxalic acid CAS Name: [4-(2-methoxyphenyl)-1-(3-phenylbutyl)-2-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-(2-methoxyphenyl)-1-(3-phenylbutyl)piperazin-2-yl]-phenylmethanone; oxalic acid Traditional Name: [4-(2-methoxyphenyl)-1-(3-phenylbutyl)piperazin-2-yl]-phenyl-methanone; oxalic acid Formula: C30H34N2O6 MolecularWeight: 518.60076

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCN(CC1C(=O)C2=CC=CC=C2)C3=CC=CC=C3OC)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CCN1CCN(CC1C(=O)C2=CC=CC=C2)C3=CC=CC=C3OC)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H32N2O2.C2H2O4/c1-22(23-11-5-3-6-12-23)17-18-29-19-20-30(25-15-9-10-16-27(25)32-2)21-26(29)28(31)24-13-7-4-8-14-24;3-1(4)2(5)6/h3-16,22,26H,17-21H2,1-2H3;(H,3,4)(H,5,6)