2-azanyl-3-pyridin-3-yl-propanoic acid; (phenylmethyl) 2-(methylamino)ethanoate

Systemtic Name: 2-azanyl-3-pyridin-3-yl-propanoic acid; (phenylmethyl) 2-(methylamino)ethanoate Openeye Name: 2-amino-3-(3-pyridyl)propanoic acid; benzyl 2-(methylamino)acetate CAS Name: 2-amino-3-(3-pyridinyl)propanoic acid; 2-(methylamino)acetic acid (phenylmethyl) ester IUPAC Name: 2-amino-3-pyridin-3-ylpropanoic acid; benzyl 2-(methylamino)acetate Traditional Name: 2-amino-3-(3-pyridyl)propionic acid; 2-(methylamino)acetic acid benzyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(=O)OCC1=CC=CC=C1.C1=CC(=CN=C1)CC(C(=O)O)N

Isomeric SMILES

CNCC(=O)OCC1=CC=CC=C1.C1=CC(=CN=C1)CC(C(=O)O)N

InChI

InChI=1S/C10H13NO2.C8H10N2O2/c1-11-7-10(12)13-8-9-5-3-2-4-6-9;9-7(8(11)12)4-6-2-1-3-10-5-6/h2-6,11H,7-8H2,1H3;1-3,5,7H,4,9H2,(H,11,12)