methyl 4-azanyl-2-methyl-3-pentyl-benzoate

Systemtic Name: methyl 4-azanyl-2-methyl-3-pentyl-benzoate Openeye Name: methyl 4-amino-2-methyl-3-pentyl-benzoate CAS Name: 4-amino-2-methyl-3-pentylbenzoic acid methyl ester IUPAC Name: methyl 4-amino-2-methyl-3-pentylbenzoate Traditional Name: 4-amino-3-amyl-2-methyl-benzoic acid methyl ester Formula: C14H21NO2 MolecularWeight: 235.32204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1C)C(=O)OC)N

Isomeric SMILES

CCCCCC1=C(C=CC(=C1C)C(=O)OC)N

InChI

InChI=1S/C14H21NO2/c1-4-5-6-7-11-10(2)12(14(16)17-3)8-9-13(11)15/h8-9H,4-7,15H2,1-3H3