3-azanylideneisoindol-1-amine; 2-azanyl-3-phenyl-propanoic acid

Systemtic Name: 3-azanylideneisoindol-1-amine; 2-azanyl-3-phenyl-propanoic acid Openeye Name: 2-amino-3-phenyl-propanoic acid; 3-iminoisoindol-1-amine CAS Name: 2-amino-3-phenylpropanoic acid; 3-imino-1-isoindolamine IUPAC Name: 2-amino-3-phenylpropanoic acid; 3-iminoisoindol-1-amine Traditional Name: 2-amino-3-phenyl-propionic acid; (3-iminoisoindol-1-yl)amine Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N.C1=CC=C2C(=C1)C(=NC2=N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N.C1=CC=C2C(=C1)C(=NC2=N)N

InChI

InChI=1S/C9H11NO2.C8H7N3/c10-8(9(11)12)6-7-4-2-1-3-5-7;9-7-5-3-1-2-4-6(5)8(10)11-7/h1-5,8H,6,10H2,(H,11,12);1-4H,(H3,9,10,11)