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

Systemtic Name: ethanedioic acid; propan-2-yl 3-[4-(diphenylmethylidene)piperidin-1-yl]propanoate Openeye Name: isopropyl 3-(4-benzhydrylidene-1-piperidyl)propanoate; oxalic acid CAS Name: 3-[4-(diphenylmethylene)-1-piperidinyl]propanoic acid propan-2-yl ester; oxalic acid IUPAC Name: oxalic acid; propan-2-yl 3-(4-benzhydrylidenepiperidin-1-yl)propanoate Traditional Name: 3-(4-benzhydrylidenepiperidino)propionic acid isopropyl ester; oxalic acid Formula: C26H31NO6 MolecularWeight: 453.52744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO2.C2H2O4/c1-19(2)27-23(26)15-18-25-16-13-22(14-17-25)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21;3-1(4)2(5)6/h3-12,19H,13-18H2,1-2H3;(H,3,4)(H,5,6)