8-azabicyclo[3.2.1]octan-3-yl 2-(4-bromophenyl)propanoate; (Z)-but-2-enedioate

Systemtic Name: 8-azabicyclo[3.2.1]octan-3-yl 2-(4-bromophenyl)propanoate; (Z)-but-2-enedioate Openeye Name: 8-azabicyclo[3.2.1]octan-3-yl 2-(4-bromophenyl)propanoate; (Z)-but-2-enedioate CAS Name: 2-(4-bromophenyl)propanoic acid 8-azabicyclo[3.2.1]octan-3-yl ester; (Z)-2-butenedioate IUPAC Name: 8-azabicyclo[3.2.1]octan-3-yl 2-(4-bromophenyl)propanoate; (Z)-but-2-enedioate Traditional Name: 2-(4-bromophenyl)propionic acid 8-azabicyclo[3.2.1]octan-3-yl ester maleate Formula: C20H22BrNO6-2 MolecularWeight: 452.29578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)C(=O)OC2CC3CCC(C2)N3.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)C(=O)OC2CC3CCC(C2)N3.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C16H20BrNO2.C4H4O4/c1-10(11-2-4-12(17)5-3-11)16(19)20-15-8-13-6-7-14(9-15)18-13;5-3(6)1-2-4(7)8/h2-5,10,13-15,18H,6-9H2,1H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-