methyl 4-(heptan-2-ylamino)-3-methyl-benzoate

Systemtic Name: methyl 4-(heptan-2-ylamino)-3-methyl-benzoate Openeye Name: methyl 3-methyl-4-(1-methylhexylamino)benzoate CAS Name: 4-(heptan-2-ylamino)-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-(heptan-2-ylamino)-3-methylbenzoate Traditional Name: 3-methyl-4-(1-methylhexylamino)benzoic acid methyl ester Formula: C16H25NO2 MolecularWeight: 263.3752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC1=C(C=C(C=C1)C(=O)OC)C

Isomeric SMILES

CCCCCC(C)NC1=C(C=C(C=C1)C(=O)OC)C

InChI

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