methyl 4-[(1-cyano-1-pyridin-3-yl-ethyl)amino]benzoate

Systemtic Name: methyl 4-[(1-cyano-1-pyridin-3-yl-ethyl)amino]benzoate Openeye Name: methyl 4-[[1-cyano-1-(3-pyridyl)ethyl]amino]benzoate CAS Name: 4-[[1-cyano-1-(3-pyridinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-cyano-1-pyridin-3-ylethyl)amino]benzoate Traditional Name: 4-[[1-cyano-1-(3-pyridyl)ethyl]amino]benzoic acid methyl ester Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=CN=CC=C1)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C#N)(C1=CN=CC=C1)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H15N3O2/c1-16(11-17,13-4-3-9-18-10-13)19-14-7-5-12(6-8-14)15(20)21-2/h3-10,19H,1-2H3