2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(4-oxidanylcyclohexyl)amino]benzoic acid

Systemtic Name: 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(4-oxidanylcyclohexyl)amino]benzoic acid Openeye Name: 4-tert-butoxycarbonyl-3-[(4-hydroxycyclohexyl)amino]-2-methyl-benzoic acid CAS Name: 3-[(4-hydroxycyclohexyl)amino]-2-methyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]benzoic acid IUPAC Name: 3-[(4-hydroxycyclohexyl)amino]-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid Traditional Name: 4-tert-butoxycarbonyl-3-[(4-hydroxycyclohexyl)amino]-2-methyl-benzoic acid Formula: C19H27NO5 MolecularWeight: 349.42138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1NC2CCC(CC2)O)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1NC2CCC(CC2)O)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C19H27NO5/c1-11-14(17(22)23)9-10-15(18(24)25-19(2,3)4)16(11)20-12-5-7-13(21)8-6-12/h9-10,12-13,20-21H,5-8H2,1-4H3,(H,22,23)