[2-[[(3-bromanyl-4-methoxy-phenyl)-cyano-methyl]carbamoyl]cyclohexyl]carbamic acid

Systemtic Name: [2-[[(3-bromanyl-4-methoxy-phenyl)-cyano-methyl]carbamoyl]cyclohexyl]carbamic acid Openeye Name: [2-[[(3-bromo-4-methoxy-phenyl)-cyano-methyl]carbamoyl]cyclohexyl]carbamic acid CAS Name: [2-[[[(3-bromo-4-methoxyphenyl)-cyanomethyl]amino]-oxomethyl]cyclohexyl]carbamic acid IUPAC Name: [2-[[(3-bromo-4-methoxyphenyl)-cyanomethyl]carbamoyl]cyclohexyl]carbamic acid Traditional Name: [2-[[(3-bromo-4-methoxy-phenyl)-cyano-methyl]carbamoyl]cyclohexyl]carbamic acid Formula: C17H20BrN3O4 MolecularWeight: 410.2624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)NC(=O)C2CCCCC2NC(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(C#N)NC(=O)C2CCCCC2NC(=O)O)Br

InChI

InChI=1S/C17H20BrN3O4/c1-25-15-7-6-10(8-12(15)18)14(9-19)20-16(22)11-4-2-3-5-13(11)21-17(23)24/h6-8,11,13-14,21H,2-5H2,1H3,(H,20,22)(H,23,24)