methyl 3-(4-chloranyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl 3-(4-chloranyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-(4-chloro-4-hydroxy-cyclohexa-2,5-dien-1-yl)propanoate CAS Name: 3-(4-chloro-4-hydroxy-1-cyclohexa-2,5-dienyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-chloro-4-hydroxycyclohexa-2,5-dien-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-chloro-4-hydroxy-cyclohexa-2,5-dien-1-yl)propionic acid methyl ester Formula: C15H22ClNO5 MolecularWeight: 331.79188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1C=CC(C=C1)(O)Cl)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1C=CC(C=C1)(O)Cl)C(=O)OC

InChI

InChI=1S/C15H22ClNO5/c1-14(2,3)22-13(19)17-11(12(18)21-4)9-10-5-7-15(16,20)8-6-10/h5-8,10-11,20H,9H2,1-4H3,(H,17,19)