3-[2-(3-aminophenyl)ethanoylamino]propanoic acid; 3-ethylbenzenecarbonitrile

Systemtic Name: 3-[2-(3-aminophenyl)ethanoylamino]propanoic acid; 3-ethylbenzenecarbonitrile Openeye Name: 3-[[2-(3-aminophenyl)acetyl]amino]propanoic acid; 3-ethylbenzonitrile CAS Name: 3-[[2-(3-aminophenyl)-1-oxoethyl]amino]propanoic acid; 3-ethylbenzonitrile IUPAC Name: 3-[[2-(3-aminophenyl)acetyl]amino]propanoic acid; 3-ethylbenzonitrile Traditional Name: 3-[[2-(3-aminophenyl)acetyl]amino]propionic acid; 3-ethylbenzonitrile Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C#N.C1=CC(=CC(=C1)N)CC(=O)NCCC(=O)O

Isomeric SMILES

CCC1=CC=CC(=C1)C#N.C1=CC(=CC(=C1)N)CC(=O)NCCC(=O)O

InChI

InChI=1S/C11H14N2O3.C9H9N/c12-9-3-1-2-8(6-9)7-10(14)13-5-4-11(15)16;1-2-8-4-3-5-9(6-8)7-10/h1-3,6H,4-5,7,12H2,(H,13,14)(H,15,16);3-6H,2H2,1H3