methyl (E)-3-[5-[(2-aminocarbonylcyclohexen-1-yl)carbonylamino]-2-chloranyl-phenyl]-2-bromanyl-prop-2-enoate

Systemtic Name: methyl (E)-3-[5-[(2-aminocarbonylcyclohexen-1-yl)carbonylamino]-2-chloranyl-phenyl]-2-bromanyl-prop-2-enoate Openeye Name: methyl (E)-2-bromo-3-[5-[(2-carbamoylcyclohexene-1-carbonyl)amino]-2-chloro-phenyl]prop-2-enoate CAS Name: (E)-2-bromo-3-[5-[[(2-carbamoyl-1-cyclohexenyl)-oxomethyl]amino]-2-chlorophenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-bromo-3-[5-[(2-carbamoylcyclohexene-1-carbonyl)amino]-2-chlorophenyl]prop-2-enoate Traditional Name: (E)-2-bromo-3-[5-[(2-carbamoylcyclohexene-1-carbonyl)amino]-2-chloro-phenyl]acrylic acid methyl ester Formula: C18H18BrClN2O4 MolecularWeight: 441.70352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=C(C=CC(=C1)NC(=O)C2=C(CCCC2)C(=O)N)Cl)Br

Isomeric SMILES

COC(=O)/C(=C\C1=C(C=CC(=C1)NC(=O)C2=C(CCCC2)C(=O)N)Cl)/Br

InChI

InChI=1S/C18H18BrClN2O4/c1-26-18(25)14(19)9-10-8-11(6-7-15(10)20)22-17(24)13-5-3-2-4-12(13)16(21)23/h6-9H,2-5H2,1H3,(H2,21,23)(H,22,24)/b14-9+