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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=C(C=C(C=C1)C(=O)OC)C

Isomeric SMILES

CCCC(CCC)NC1=C(C=C(C=C1)C(=O)OC)C

InChI

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