3-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid Openeye Name: 3-[benzyl(tert-butoxycarbonyl)amino]-4,5-dihydroxy-cyclohexene-1-carboxylic acid CAS Name: 4,5-dihydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]-1-cyclohexenecarboxylic acid IUPAC Name: 3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-dihydroxycyclohexene-1-carboxylic acid Traditional Name: 3-[benzyl(tert-butoxycarbonyl)amino]-4,5-dihydroxy-cyclohexene-1-carboxylic acid Formula: C19H25NO6 MolecularWeight: 363.4049

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C2C=C(CC(C2O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C2C=C(CC(C2O)O)C(=O)O

InChI

InChI=1S/C19H25NO6/c1-19(2,3)26-18(25)20(11-12-7-5-4-6-8-12)14-9-13(17(23)24)10-15(21)16(14)22/h4-9,14-16,21-22H,10-11H2,1-3H3,(H,23,24)