ethanedioic acid; 2-methylpropyl 3-[4-(diphenylmethylidene)piperidin-1-yl]propanoate

Systemtic Name: ethanedioic acid; 2-methylpropyl 3-[4-(diphenylmethylidene)piperidin-1-yl]propanoate Openeye Name: isobutyl 3-(4-benzhydrylidene-1-piperidyl)propanoate; oxalic acid CAS Name: 3-[4-(diphenylmethylene)-1-piperidinyl]propanoic acid 2-methylpropyl ester; oxalic acid IUPAC Name: 2-methylpropyl 3-(4-benzhydrylidenepiperidin-1-yl)propanoate; oxalic acid Traditional Name: 3-(4-benzhydrylidenepiperidino)propionic acid isobutyl ester; oxalic acid Formula: C27H33NO6 MolecularWeight: 467.55402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CCN1CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)COC(=O)CCN1CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H31NO2.C2H2O4/c1-20(2)19-28-24(27)15-18-26-16-13-23(14-17-26)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22;3-1(4)2(5)6/h3-12,20H,13-19H2,1-2H3;(H,3,4)(H,5,6)