methyl 3-(4-azanyl-4-cyano-butyl)benzoate

Systemtic Name: methyl 3-(4-azanyl-4-cyano-butyl)benzoate Openeye Name: methyl 3-(4-amino-4-cyano-butyl)benzoate CAS Name: 3-(4-amino-4-cyanobutyl)benzoic acid methyl ester IUPAC Name: methyl 3-(4-amino-4-cyanobutyl)benzoate Traditional Name: 3-(4-amino-4-cyano-butyl)benzoic acid methyl ester Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CCCC(C#N)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CCCC(C#N)N

InChI

InChI=1S/C13H16N2O2/c1-17-13(16)11-6-2-4-10(8-11)5-3-7-12(15)9-14/h2,4,6,8,12H,3,5,7,15H2,1H3