2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-pyridin-2-yl-pent-4-ynoic acid

Systemtic Name: 2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-pyridin-2-yl-pent-4-ynoic acid Openeye Name: 2-[(1-carboxy-3-phenyl-propyl)amino]-5-(2-pyridyl)pent-4-ynoic acid CAS Name: 2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-5-(2-pyridinyl)-4-pentynoic acid IUPAC Name: 2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-5-pyridin-2-ylpent-4-ynoic acid Traditional Name: 2-[(1-carboxy-3-phenyl-propyl)amino]-5-(2-pyridyl)pent-4-ynoic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)NC(CC#CC2=CC=CC=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)O)NC(CC#CC2=CC=CC=N2)C(=O)O

InChI

InChI=1S/C20H20N2O4/c23-19(24)17(11-6-10-16-9-4-5-14-21-16)22-18(20(25)26)13-12-15-7-2-1-3-8-15/h1-5,7-9,14,17-18,22H,11-13H2,(H,23,24)(H,25,26)