4-[[4-bromanyl-2-(cyclohexylmethylcarbamoyl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-bromanyl-2-(cyclohexylmethylcarbamoyl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-bromo-2-(cyclohexylmethylcarbamoyl)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-bromo-2-[(cyclohexylmethylamino)-oxomethyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-bromo-2-(cyclohexylmethylcarbamoyl)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-bromo-2-(cyclohexylmethylcarbamoyl)anilino]-4-keto-butyric acid Formula: C18H23BrN2O4 MolecularWeight: 411.29022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=C(C=CC(=C2)Br)NC(=O)CCC(=O)O

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=C(C=CC(=C2)Br)NC(=O)CCC(=O)O

InChI

InChI=1S/C18H23BrN2O4/c19-13-6-7-15(21-16(22)8-9-17(23)24)14(10-13)18(25)20-11-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,11H2,(H,20,25)(H,21,22)(H,23,24)