(Z)-but-2-enedioic acid; [3-(dimethylaminomethyl)-1,2-diphenyl-but-3-en-2-yl] propanoate

Systemtic Name: (Z)-but-2-enedioic acid; [3-(dimethylaminomethyl)-1,2-diphenyl-but-3-en-2-yl] propanoate Openeye Name: [1-benzyl-2-(dimethylaminomethyl)-1-phenyl-allyl] propanoate; maleic acid CAS Name: (Z)-2-butenedioic acid; propanoic acid [3-(dimethylaminomethyl)-1,2-diphenylbut-3-en-2-yl] ester IUPAC Name: (Z)-but-2-enedioic acid; [3-(dimethylaminomethyl)-1,2-diphenylbut-3-en-2-yl] propanoate Traditional Name: maleic acid; propionic acid [1-benzyl-2-(dimethylaminomethyl)-1-phenyl-allyl] ester Formula: C26H31NO6 MolecularWeight: 453.52744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(=C)CN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(=C)CN(C)C.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C22H27NO2.C4H4O4/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;5-3(6)1-2-4(7)8/h6-15H,2,5,16-17H2,1,3-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-