6-(3-chloranyl-2-oxidanyl-propoxy)-4-oxidanylidene-7-phenylmethoxy-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-(3-chloranyl-2-oxidanyl-propoxy)-4-oxidanylidene-7-phenylmethoxy-1H-quinoline-3-carboxylic acid Openeye Name: 7-benzyloxy-6-(3-chloro-2-hydroxy-propoxy)-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-(3-chloro-2-hydroxypropoxy)-4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylic acid IUPAC Name: 6-(3-chloro-2-hydroxypropoxy)-4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylic acid Traditional Name: 7-benzoxy-6-(3-chloro-2-hydroxy-propoxy)-4-keto-1H-quinoline-3-carboxylic acid Formula: C20H18ClNO6 MolecularWeight: 403.81302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C3C(=C2)NC=C(C3=O)C(=O)O)OCC(CCl)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C3C(=C2)NC=C(C3=O)C(=O)O)OCC(CCl)O

InChI

InChI=1S/C20H18ClNO6/c21-8-13(23)11-28-17-6-14-16(22-9-15(19(14)24)20(25)26)7-18(17)27-10-12-4-2-1-3-5-12/h1-7,9,13,23H,8,10-11H2,(H,22,24)(H,25,26)