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

Systemtic Name: methyl 3-(heptan-4-ylamino)-4-methyl-benzoate Openeye Name: methyl 4-methyl-3-(1-propylbutylamino)benzoate CAS Name: 3-(heptan-4-ylamino)-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(heptan-4-ylamino)-4-methylbenzoate Traditional Name: 4-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=C(C=CC(=C1)C(=O)OC)C

Isomeric SMILES

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

InChI

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