4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-8-propoxycarbonyl-quinoline-3-carboxylic acid

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-8-propoxycarbonyl-quinoline-3-carboxylic acid Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-8-propoxycarbonyl-quinoline-3-carboxylic acid CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-8-[oxo(propoxy)methyl]-3-quinolinecarboxylic acid IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-8-propoxycarbonylquinoline-3-carboxylic acid Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-8-propoxycarbonyl-quinoline-3-carboxylic acid Formula: C23H20ClN3O5 MolecularWeight: 453.875

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC2=C(C(=CN=C12)C(=O)O)NCC3=CC(=C(C=C3)OC)Cl)C#N

Isomeric SMILES

CCCOC(=O)C1=CC(=CC2=C(C(=CN=C12)C(=O)O)NCC3=CC(=C(C=C3)OC)Cl)C#N

InChI

InChI=1S/C23H20ClN3O5/c1-3-6-32-23(30)16-8-14(10-25)7-15-20(16)27-12-17(22(28)29)21(15)26-11-13-4-5-19(31-2)18(24)9-13/h4-5,7-9,12H,3,6,11H2,1-2H3,(H,26,27)(H,28,29)