7-chloranyl-1-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-chloranyl-1-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-chloro-1-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-chloro-1-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-chloro-1-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-chloro-1-ethyl-4-keto-6-[2-(3-methoxyphenyl)ethylamino]quinoline-3-carboxylic acid Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)NCCC3=CC(=CC=C3)OC)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)NCCC3=CC(=CC=C3)OC)C(=O)O

InChI

InChI=1S/C21H21ClN2O4/c1-3-24-12-16(21(26)27)20(25)15-10-18(17(22)11-19(15)24)23-8-7-13-5-4-6-14(9-13)28-2/h4-6,9-12,23H,3,7-8H2,1-2H3,(H,26,27)