(E)-but-2-enedioic acid; methyl 2-(2-azanylethanoylamino)-2,3-diphenyl-propanoate

Systemtic Name: (E)-but-2-enedioic acid; methyl 2-(2-azanylethanoylamino)-2,3-diphenyl-propanoate Openeye Name: fumaric acid; methyl 2-[(2-aminoacetyl)amino]-2,3-diphenyl-propanoate CAS Name: 2-[(2-amino-1-oxoethyl)amino]-2,3-diphenylpropanoic acid methyl ester; (E)-2-butenedioic acid IUPAC Name: (E)-but-2-enedioic acid; methyl 2-[(2-aminoacetyl)amino]-2,3-diphenylpropanoate Traditional Name: fumaric acid; 2-(glycylamino)-2,3-diphenyl-propionic acid methyl ester Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)CN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)CN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H20N2O3.C4H4O4/c1-23-17(22)18(20-16(21)13-19,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;5-3(6)1-2-4(7)8/h2-11H,12-13,19H2,1H3,(H,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+