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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=CC=CC(=C1C)C(=O)OC

Isomeric SMILES

CCCC(CCC)NC1=CC=CC(=C1C)C(=O)OC

InChI

InChI=1S/C16H25NO2/c1-5-8-13(9-6-2)17-15-11-7-10-14(12(15)3)16(18)19-4/h7,10-11,13,17H,5-6,8-9H2,1-4H3