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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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