4-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinolin-3-yl]carbonylamino]butanoic acid

Systemtic Name: 4-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinolin-3-yl]carbonylamino]butanoic acid Openeye Name: 4-[[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carbonyl]amino]butanoic acid CAS Name: 4-[[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-3-quinolinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinoline-3-carbonyl]amino]butanoic acid Traditional Name: 4-[[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-quinoline-3-carbonyl]amino]butyric acid Formula: C23H21ClN4O4 MolecularWeight: 452.89024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCCCC(=O)O)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCCCC(=O)O)C#N)Cl

InChI

InChI=1S/C23H21ClN4O4/c1-32-20-7-5-15(10-18(20)24)12-28-22-16-9-14(11-25)4-6-19(16)27-13-17(22)23(31)26-8-2-3-21(29)30/h4-7,9-10,13H,2-3,8,12H2,1H3,(H,26,31)(H,27,28)(H,29,30)