4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-[2-(4-hydroxyphenyl)-2-oxidanyl-ethyl]quinoline-3-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-[2-(4-hydroxyphenyl)-2-oxidanyl-ethyl]quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]quinoline-3-carboxamide Formula: C27H23ClN4O4 MolecularWeight: 502.94892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCC(C4=CC=C(C=C4)O)O)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCC(C4=CC=C(C=C4)O)O)C#N)Cl

InChI

InChI=1S/C27H23ClN4O4/c1-36-25-9-3-17(11-22(25)28)13-31-26-20-10-16(12-29)2-8-23(20)30-14-21(26)27(35)32-15-24(34)18-4-6-19(33)7-5-18/h2-11,14,24,33-34H,13,15H2,1H3,(H,30,31)(H,32,35)