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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-8-methoxycarbonyl-quinoline-3-carboxylic acid Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-8-methoxycarbonyl-quinoline-3-carboxylic acid CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-8-methoxycarbonyl-3-quinolinecarboxylic acid IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-8-methoxycarbonylquinoline-3-carboxylic acid Traditional Name: 8-carbomethoxy-4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-quinoline-3-carboxylic acid Formula: C21H16ClN3O5 MolecularWeight: 425.82184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=NC=C2C(=O)O)C(=O)OC)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=NC=C2C(=O)O)C(=O)OC)C#N)Cl

InChI

InChI=1S/C21H16ClN3O5/c1-29-17-4-3-11(7-16(17)22)9-24-19-13-5-12(8-23)6-14(21(28)30-2)18(13)25-10-15(19)20(26)27/h3-7,10H,9H2,1-2H3,(H,24,25)(H,26,27)