methyl 4-azanyl-2-methyl-3-octyl-benzoate

Systemtic Name: methyl 4-azanyl-2-methyl-3-octyl-benzoate Openeye Name: methyl 4-amino-2-methyl-3-octyl-benzoate CAS Name: 4-amino-2-methyl-3-octylbenzoic acid methyl ester IUPAC Name: methyl 4-amino-2-methyl-3-octylbenzoate Traditional Name: 4-amino-2-methyl-3-octyl-benzoic acid methyl ester Formula: C17H27NO2 MolecularWeight: 277.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC(=C1C)C(=O)OC)N

Isomeric SMILES

CCCCCCCCC1=C(C=CC(=C1C)C(=O)OC)N

InChI

InChI=1S/C17H27NO2/c1-4-5-6-7-8-9-10-14-13(2)15(17(19)20-3)11-12-16(14)18/h11-12H,4-10,18H2,1-3H3