3-[(2-carboxycyclohexyl)carbonylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(2-carboxycyclohexyl)carbonylamino]-4-methyl-benzoic acid Openeye Name: 3-[(2-carboxycyclohexanecarbonyl)amino]-4-methyl-benzoic acid CAS Name: 3-[[(2-carboxycyclohexyl)-oxomethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(2-carboxycyclohexanecarbonyl)amino]-4-methylbenzoic acid Traditional Name: 3-[(2-carboxycyclohexanecarbonyl)amino]-4-methyl-benzoic acid Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2CCCCC2C(=O)O

InChI

InChI=1S/C16H19NO5/c1-9-6-7-10(15(19)20)8-13(9)17-14(18)11-4-2-3-5-12(11)16(21)22/h6-8,11-12H,2-5H2,1H3,(H,17,18)(H,19,20)(H,21,22)