[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C20H26BrNO5 MolecularWeight: 440.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C20H26BrNO5/c1-13-5-3-4-6-16(13)22-19(24)12-27-20(25)10-8-17(23)15-11-14(21)7-9-18(15)26-2/h7,9,11,13,16H,3-6,8,10,12H2,1-2H3,(H,22,24)