2-azanyl-N-[1-(3,4-dichlorophenyl)-2-phenyl-propan-2-yl]ethanamide; (E)-but-2-enedioic acid

Systemtic Name: 2-azanyl-N-[1-(3,4-dichlorophenyl)-2-phenyl-propan-2-yl]ethanamide; (E)-but-2-enedioic acid Openeye Name: 2-amino-N-[2-(3,4-dichlorophenyl)-1-methyl-1-phenyl-ethyl]acetamide; fumaric acid CAS Name: 2-amino-N-[1-(3,4-dichlorophenyl)-2-phenylpropan-2-yl]acetamide; (E)-2-butenedioic acid IUPAC Name: 2-amino-N-[1-(3,4-dichlorophenyl)-2-phenylpropan-2-yl]acetamide; (E)-but-2-enedioic acid Traditional Name: 2-amino-N-[2-(3,4-dichlorophenyl)-1-methyl-1-phenyl-ethyl]acetamide; fumaric acid Formula: C21H22Cl2N2O5 MolecularWeight: 453.31578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18Cl2N2O.C4H4O4/c1-17(21-16(22)11-20,13-5-3-2-4-6-13)10-12-7-8-14(18)15(19)9-12;5-3(6)1-2-4(7)8/h2-9H,10-11,20H2,1H3,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+