methyl 4-azanyl-2-[3-methyl-2,3-bis(oxidanyl)butyl]benzoate

Systemtic Name: methyl 4-azanyl-2-[3-methyl-2,3-bis(oxidanyl)butyl]benzoate Openeye Name: methyl 4-amino-2-(2,3-dihydroxy-3-methyl-butyl)benzoate CAS Name: 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoic acid methyl ester IUPAC Name: methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate Traditional Name: 4-amino-2-(2,3-dihydroxy-3-methyl-butyl)benzoic acid methyl ester Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-13(2,17)11(15)7-8-6-9(14)4-5-10(8)12(16)18-3/h4-6,11,15,17H,7,14H2,1-3H3