2-[3-[(4-chlorophenyl)methylcarbamoyl]-4-oxidanylidene-6-(3-oxidanylpropyl)quinolin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(4-chlorophenyl)methylcarbamoyl]-4-oxidanylidene-6-(3-oxidanylpropyl)quinolin-1-yl]ethanoic acid Openeye Name: 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(3-hydroxypropyl)-4-oxo-1-quinolyl]acetic acid CAS Name: 2-[3-[[(4-chlorophenyl)methylamino]-oxomethyl]-6-(3-hydroxypropyl)-4-oxo-1-quinolinyl]acetic acid IUPAC Name: 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(3-hydroxypropyl)-4-oxoquinolin-1-yl]acetic acid Traditional Name: 2-[3-[(4-chlorobenzyl)carbamoyl]-6-(3-hydroxypropyl)-4-keto-1-quinolyl]acetic acid Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)CCCO)CC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)CCCO)CC(=O)O)Cl

InChI

InChI=1S/C22H21ClN2O5/c23-16-6-3-15(4-7-16)11-24-22(30)18-12-25(13-20(27)28)19-8-5-14(2-1-9-26)10-17(19)21(18)29/h3-8,10,12,26H,1-2,9,11,13H2,(H,24,30)(H,27,28)