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

Systemtic Name: 2-[7-(4-azanylbutylcarbamoyl)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]ethanoic acid Openeye Name: 2-[7-(4-aminobutylcarbamoyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]acetic acid CAS Name: 2-[7-[(4-aminobutylamino)-oxomethyl]-2-oxo-3,4-dihydro-1H-quinolin-3-yl]acetic acid IUPAC Name: 2-[7-(4-aminobutylcarbamoyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]acetic acid Traditional Name: 2-[7-(4-aminobutylcarbamoyl)-2-keto-3,4-dihydro-1H-quinolin-3-yl]acetic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC2=C1C=CC(=C2)C(=O)NCCCCN)CC(=O)O

Isomeric SMILES

C1C(C(=O)NC2=C1C=CC(=C2)C(=O)NCCCCN)CC(=O)O

InChI

InChI=1S/C16H21N3O4/c17-5-1-2-6-18-15(22)11-4-3-10-7-12(9-14(20)21)16(23)19-13(10)8-11/h3-4,8,12H,1-2,5-7,9,17H2,(H,18,22)(H,19,23)(H,20,21)