(Z)-but-2-enedioate; 3-(dimethylamino)propyl 2-(4-bromophenyl)propanoate

Systemtic Name: (Z)-but-2-enedioate; 3-(dimethylamino)propyl 2-(4-bromophenyl)propanoate Openeye Name: (Z)-but-2-enedioate; 3-(dimethylamino)propyl 2-(4-bromophenyl)propanoate CAS Name: 2-(4-bromophenyl)propanoic acid 3-(dimethylamino)propyl ester; (Z)-2-butenedioate IUPAC Name: (Z)-but-2-enedioate; 3-(dimethylamino)propyl 2-(4-bromophenyl)propanoate Traditional Name: 2-(4-bromophenyl)propionic acid 3-(dimethylamino)propyl ester maleate Formula: C18H22BrNO6-2 MolecularWeight: 428.27438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)C(=O)OCCCN(C)C.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)C(=O)OCCCN(C)C.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C14H20BrNO2.C4H4O4/c1-11(12-5-7-13(15)8-6-12)14(17)18-10-4-9-16(2)3;5-3(6)1-2-4(7)8/h5-8,11H,4,9-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-