ethyl (E)-2-(2-chloranylpyridin-3-yl)carbonyl-3-[(4-methyl-4-oxidanyl-cyclohexyl)amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-(2-chloranylpyridin-3-yl)carbonyl-3-[(4-methyl-4-oxidanyl-cyclohexyl)amino]prop-2-enoate Openeye Name: ethyl (E)-2-(2-chloropyridine-3-carbonyl)-3-[(4-hydroxy-4-methyl-cyclohexyl)amino]prop-2-enoate CAS Name: (E)-2-[(2-chloro-3-pyridinyl)-oxomethyl]-3-[(4-hydroxy-4-methylcyclohexyl)amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-(2-chloropyridine-3-carbonyl)-3-[(4-hydroxy-4-methylcyclohexyl)amino]prop-2-enoate Traditional Name: (E)-2-(2-chloronicotinoyl)-3-[(4-hydroxy-4-methyl-cyclohexyl)amino]acrylic acid ethyl ester Formula: C18H23ClN2O4 MolecularWeight: 366.83922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1CCC(CC1)(C)O)C(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

CCOC(=O)/C(=C/NC1CCC(CC1)(C)O)/C(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C18H23ClN2O4/c1-3-25-17(23)14(15(22)13-5-4-10-20-16(13)19)11-21-12-6-8-18(2,24)9-7-12/h4-5,10-12,21,24H,3,6-9H2,1-2H3/b14-11+