(Z)-but-2-enedioic acid; (1-propan-2-ylpyrrolidin-3-yl) 2-acetyloxybenzoate

Systemtic Name: (Z)-but-2-enedioic acid; (1-propan-2-ylpyrrolidin-3-yl) 2-acetyloxybenzoate Openeye Name: (1-isopropylpyrrolidin-3-yl) 2-acetoxybenzoate; maleic acid CAS Name: 2-acetyloxybenzoic acid (1-propan-2-yl-3-pyrrolidinyl) ester; (Z)-2-butenedioic acid IUPAC Name: (Z)-but-2-enedioic acid; (1-propan-2-ylpyrrolidin-3-yl) 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid (1-isopropylpyrrolidin-3-yl) ester; maleic acid Formula: C20H25NO8 MolecularWeight: 407.4144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(C1)OC(=O)C2=CC=CC=C2OC(=O)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)N1CCC(C1)OC(=O)C2=CC=CC=C2OC(=O)C.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C16H21NO4.C4H4O4/c1-11(2)17-9-8-13(10-17)21-16(19)14-6-4-5-7-15(14)20-12(3)18;5-3(6)1-2-4(7)8/h4-7,11,13H,8-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-