O4-[3-[1-(3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]phenyl] O1-methyl (E)-but-2-enedioate

Systemtic Name: O4-[3-[1-(3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]phenyl] O1-methyl (E)-but-2-enedioate Openeye Name: O4-[3-[1-(3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]phenyl] O1-methyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[3-[1-(3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]phenyl] ester O1-methyl ester IUPAC Name: 4-O-[3-[1-(3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]phenyl] 1-O-methyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[3-[1-(3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]phenyl] ester O1-methyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)OC1=CC=CC(=C1)C2(CCCCC2)N3CCC=CC3

Isomeric SMILES

COC(=O)/C=C/C(=O)OC1=CC=CC(=C1)C2(CCCCC2)N3CCC=CC3

InChI

InChI=1S/C22H27NO4/c1-26-20(24)11-12-21(25)27-19-10-8-9-18(17-19)22(13-4-2-5-14-22)23-15-6-3-7-16-23/h3,6,8-12,17H,2,4-5,7,13-16H2,1H3/b12-11+