methyl 2-azanyl-3-(2-oxidanylideneoctyl)benzoate

Systemtic Name: methyl 2-azanyl-3-(2-oxidanylideneoctyl)benzoate Openeye Name: methyl 2-amino-3-(2-oxooctyl)benzoate CAS Name: 2-amino-3-(2-oxooctyl)benzoic acid methyl ester IUPAC Name: methyl 2-amino-3-(2-oxooctyl)benzoate Traditional Name: 2-amino-3-(2-ketooctyl)benzoic acid methyl ester Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CC1=CC=CC(=C1N)C(=O)OC

Isomeric SMILES

CCCCCCC(=O)CC1=CC=CC(=C1N)C(=O)OC

InChI

InChI=1S/C16H23NO3/c1-3-4-5-6-9-13(18)11-12-8-7-10-14(15(12)17)16(19)20-2/h7-8,10H,3-6,9,11,17H2,1-2H3