methyl 3-(heptylamino)-4-methyl-benzoate

Systemtic Name: methyl 3-(heptylamino)-4-methyl-benzoate Openeye Name: methyl 3-(heptylamino)-4-methyl-benzoate CAS Name: 3-(heptylamino)-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(heptylamino)-4-methylbenzoate Traditional Name: 3-(heptylamino)-4-methyl-benzoic acid methyl ester Formula: C16H25NO2 MolecularWeight: 263.3752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=C(C=CC(=C1)C(=O)OC)C

Isomeric SMILES

CCCCCCCNC1=C(C=CC(=C1)C(=O)OC)C

InChI

InChI=1S/C16H25NO2/c1-4-5-6-7-8-11-17-15-12-14(16(18)19-3)10-9-13(15)2/h9-10,12,17H,4-8,11H2,1-3H3