(E)-but-2-enedioate; 2-piperidin-1-ylethyl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate

Systemtic Name: (E)-but-2-enedioate; 2-piperidin-1-ylethyl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate Openeye Name: (E)-but-2-enedioate; 2-(1-piperidyl)ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoate CAS Name: (E)-2-butenedioate; 2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methylpropanoic acid 2-(1-piperidinyl)ethyl ester IUPAC Name: (E)-but-2-enedioate; 2-piperidin-1-ylethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate Traditional Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propionic acid 2-piperidinoethyl ester fumarate Formula: C28H30ClNO8-2 MolecularWeight: 543.9927

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCCN1CCCCC1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)(C(=O)OCCN1CCCCC1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C24H28ClNO4.C4H4O4/c1-24(2,23(28)29-17-16-26-14-4-3-5-15-26)30-21-12-8-19(9-13-21)22(27)18-6-10-20(25)11-7-18;5-3(6)1-2-4(7)8/h6-13H,3-5,14-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+