methyl 4-(2-azanyl-3-methyl-1-oxidanyl-butyl)benzoate

Systemtic Name: methyl 4-(2-azanyl-3-methyl-1-oxidanyl-butyl)benzoate Openeye Name: methyl 4-(2-amino-1-hydroxy-3-methyl-butyl)benzoate CAS Name: 4-(2-amino-1-hydroxy-3-methylbutyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-1-hydroxy-3-methylbutyl)benzoate Traditional Name: 4-(2-amino-1-hydroxy-3-methyl-butyl)benzoic acid methyl ester Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3/c1-8(2)11(14)12(15)9-4-6-10(7-5-9)13(16)17-3/h4-8,11-12,15H,14H2,1-3H3