3-azanyl-2-[(3-cyanophenyl)methyl]butanoate

Systemtic Name: 3-azanyl-2-[(3-cyanophenyl)methyl]butanoate Openeye Name: 3-amino-2-[(3-cyanophenyl)methyl]butanoate CAS Name: 3-amino-2-[(3-cyanophenyl)methyl]butanoate IUPAC Name: 3-amino-2-[(3-cyanophenyl)methyl]butanoate Traditional Name: 3-amino-2-(3-cyanobenzyl)butyrate Formula: C12H13N2O2- MolecularWeight: 217.24382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C#N)C(=O)[O-])N

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C#N)C(=O)[O-])N

InChI

InChI=1S/C12H14N2O2/c1-8(14)11(12(15)16)6-9-3-2-4-10(5-9)7-13/h2-5,8,11H,6,14H2,1H3,(H,15,16)/p-1