methyl 4-azanyl-2-methyl-3-octan-3-yl-benzoate

Systemtic Name: methyl 4-azanyl-2-methyl-3-octan-3-yl-benzoate Openeye Name: methyl 4-amino-3-(1-ethylhexyl)-2-methyl-benzoate CAS Name: 4-amino-2-methyl-3-octan-3-ylbenzoic acid methyl ester IUPAC Name: methyl 4-amino-2-methyl-3-octan-3-ylbenzoate Traditional Name: 4-amino-3-(1-ethylhexyl)-2-methyl-benzoic acid methyl ester Formula: C17H27NO2 MolecularWeight: 277.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(C=CC(=C1C)C(=O)OC)N

Isomeric SMILES

CCCCCC(CC)C1=C(C=CC(=C1C)C(=O)OC)N

InChI

InChI=1S/C17H27NO2/c1-5-7-8-9-13(6-2)16-12(3)14(17(19)20-4)10-11-15(16)18/h10-11,13H,5-9,18H2,1-4H3