2-[7-(5-azanylpent-1-ynyl)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]ethanoic acid

Systemtic Name: 2-[7-(5-azanylpent-1-ynyl)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]ethanoic acid Openeye Name: 2-[7-(5-aminopent-1-ynyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]acetic acid CAS Name: 2-[7-(5-aminopent-1-ynyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]acetic acid IUPAC Name: 2-[7-(5-aminopent-1-ynyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]acetic acid Traditional Name: 2-[7-(5-aminopent-1-ynyl)-2-keto-3,4-dihydro-1H-quinolin-3-yl]acetic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC2=C1C=CC(=C2)C#CCCCN)CC(=O)O

Isomeric SMILES

C1C(C(=O)NC2=C1C=CC(=C2)C#CCCCN)CC(=O)O

InChI

InChI=1S/C16H18N2O3/c17-7-3-1-2-4-11-5-6-12-9-13(10-15(19)20)16(21)18-14(12)8-11/h5-6,8,13H,1,3,7,9-10,17H2,(H,18,21)(H,19,20)