methyl 4-[cyano-(cyclopropylamino)methyl]benzoate

Systemtic Name: methyl 4-[cyano-(cyclopropylamino)methyl]benzoate Openeye Name: methyl 4-[cyano-(cyclopropylamino)methyl]benzoate CAS Name: 4-[cyano-(cyclopropylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[cyano-(cyclopropylamino)methyl]benzoate Traditional Name: 4-[cyano-(cyclopropylamino)methyl]benzoic acid methyl ester Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C#N)NC2CC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C#N)NC2CC2

InChI

InChI=1S/C13H14N2O2/c1-17-13(16)10-4-2-9(3-5-10)12(8-14)15-11-6-7-11/h2-5,11-12,15H,6-7H2,1H3