O4-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-[4-(1,3-benzoxazol-2-yl)piperidino]-2-keto-ethyl] ester O1-ethyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H22N2O6/c1-2-26-18(24)7-8-19(25)27-13-17(23)22-11-9-14(10-12-22)20-21-15-5-3-4-6-16(15)28-20/h3-8,14H,2,9-13H2,1H3/b8-7+