2-acetamido-3-quinolin-3-yl-propanoic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene

Systemtic Name: 2-acetamido-3-quinolin-3-yl-propanoic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene Openeye Name: 2-acetamido-3-(3-quinolyl)propanoic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene CAS Name: 2-acetamido-3-(3-quinolinyl)propanoic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene IUPAC Name: 2-acetamido-3-quinolin-3-ylpropanoic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene Traditional Name: 2-acetamido-3-(3-quinolyl)propionic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC2=CC=CC=C2N=C1)C(=O)O.C1=CC2=CC2=C1

Isomeric SMILES

CC(=O)NC(CC1=CC2=CC=CC=C2N=C1)C(=O)O.C1=CC2=CC2=C1

InChI

InChI=1S/C14H14N2O3.C6H4/c1-9(17)16-13(14(18)19)7-10-6-11-4-2-3-5-12(11)15-8-10;1-2-5-4-6(5)3-1/h2-6,8,13H,7H2,1H3,(H,16,17)(H,18,19);1-4H