ethanedioic acid; [4-[4-(4-methylpiperidin-1-yl)butoxy]phenyl]-phenyl-methanone

Systemtic Name: ethanedioic acid; [4-[4-(4-methylpiperidin-1-yl)butoxy]phenyl]-phenyl-methanone Openeye Name: [4-[4-(4-methyl-1-piperidyl)butoxy]phenyl]-phenyl-methanone; oxalic acid CAS Name: [4-[4-(4-methyl-1-piperidinyl)butoxy]phenyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[4-(4-methylpiperidin-1-yl)butoxy]phenyl]-phenylmethanone; oxalic acid Traditional Name: [4-[4-(4-methylpiperidino)butoxy]phenyl]-phenyl-methanone; oxalic acid Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCN(CC1)CCCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H29NO2.C2H2O4/c1-19-13-16-24(17-14-19)15-5-6-18-26-22-11-9-21(10-12-22)23(25)20-7-3-2-4-8-20;3-1(4)2(5)6/h2-4,7-12,19H,5-6,13-18H2,1H3;(H,3,4)(H,5,6)