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2-[carboxy-[3-oxidanylidene-3-(1-phenylethylamino)propyl]amino]-6-chloranyl-quinoline-3-carboxylic acid

2-[carboxy-[3-oxidanylidene-3-(1-phenylethylamino)propyl]amino]-6-chloranyl-quinoline-3-carboxylic acid

Systemtic Name:2-[carboxy-[3-oxidanylidene-3-(1-phenylethylamino)propyl]amino]-6-chloranyl-quinoline-3-carboxylic acid
Openeye Name:2-[carboxy-[3-oxo-3-(1-phenylethylamino)propyl]amino]-6-chloro-quinoline-3-carboxylic acid
CAS Name:2-[carboxy-[3-oxo-3-(1-phenylethylamino)propyl]amino]-6-chloro-3-quinolinecarboxylic acid
IUPAC Name:2-[carboxy-[3-oxo-3-(1-phenylethylamino)propyl]amino]-6-chloroquinoline-3-carboxylic acid
Traditional Name:2-[carboxy-[3-keto-3-(1-phenylethylamino)propyl]amino]-6-chloro-quinoline-3-carboxylic acid
Formula: C22H20ClN3O5
MolecularWeight: 441.8643
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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCN(C2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O)C(=O)O


Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CCN(C2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O)C(=O)O


InChI

InChI=1S/C22H20ClN3O5/c1-13(14-5-3-2-4-6-14)24-19(27)9-10-26(22(30)31)20-17(21(28)29)12-15-11-16(23)7-8-18(15)25-20/h2-8,11-13H,9-10H2,1H3,(H,24,27)(H,28,29)(H,30,31)


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