3-chloranyl-2-[(1-cyanocyclohexyl)carbamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-chloranyl-2-[(1-cyanocyclohexyl)carbamoyl]-4-methyl-benzoic acid Openeye Name: 3-chloro-2-[(1-cyanocyclohexyl)carbamoyl]-4-methyl-benzoic acid CAS Name: 3-chloro-2-[[(1-cyanocyclohexyl)amino]-oxomethyl]-4-methylbenzoic acid IUPAC Name: 3-chloro-2-[(1-cyanocyclohexyl)carbamoyl]-4-methylbenzoic acid Traditional Name: 3-chloro-2-[(1-cyanocyclohexyl)carbamoyl]-4-methyl-benzoic acid Formula: C16H17ClN2O3 MolecularWeight: 320.77078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)O)C(=O)NC2(CCCCC2)C#N)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)O)C(=O)NC2(CCCCC2)C#N)Cl

InChI

InChI=1S/C16H17ClN2O3/c1-10-5-6-11(15(21)22)12(13(10)17)14(20)19-16(9-18)7-3-2-4-8-16/h5-6H,2-4,7-8H2,1H3,(H,19,20)(H,21,22)