methyl 3-azanyl-4-(4-azanyl-4-oxidanylidene-butyl)-5-methyl-benzoate

Systemtic Name: methyl 3-azanyl-4-(4-azanyl-4-oxidanylidene-butyl)-5-methyl-benzoate Openeye Name: methyl 3-amino-4-(4-amino-4-oxo-butyl)-5-methyl-benzoate CAS Name: 3-amino-4-(4-amino-4-oxobutyl)-5-methylbenzoic acid methyl ester IUPAC Name: methyl 3-amino-4-(4-amino-4-oxobutyl)-5-methylbenzoate Traditional Name: 3-amino-4-(4-amino-4-keto-butyl)-5-methyl-benzoic acid methyl ester Formula: C13H18N2O3 MolecularWeight: 250.29362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)OC)N)CCCC(=O)N

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)OC)N)CCCC(=O)N

InChI

InChI=1S/C13H18N2O3/c1-8-6-9(13(17)18-2)7-11(14)10(8)4-3-5-12(15)16/h6-7H,3-5,14H2,1-2H3,(H2,15,16)