(Z)-but-2-enedioate; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-phenoxypropanoate

Systemtic Name: (Z)-but-2-enedioate; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-phenoxypropanoate Openeye Name: (Z)-but-2-enedioate; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-phenoxypropanoate CAS Name: (Z)-2-butenedioate; 3-phenoxypropanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (Z)-but-2-enedioate; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-phenoxypropanoate Traditional Name: 3-phenoxypropionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester maleate Formula: C21H25NO7-2 MolecularWeight: 403.4257

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CC(C2)OC(=O)CCOC3=CC=CC=C3.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN1C2CCC1CC(C2)OC(=O)CCOC3=CC=CC=C3.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C17H23NO3.C4H4O4/c1-18-13-7-8-14(18)12-16(11-13)21-17(19)9-10-20-15-5-3-2-4-6-15;5-3(6)1-2-4(7)8/h2-6,13-14,16H,7-12H2,1H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-