7-(3-chloranylpropoxy)-4-[[3-(hydroxymethyl)-2-methyl-phenyl]amino]-6-methoxy-quinoline-3-carboxamide

Systemtic Name: 7-(3-chloranylpropoxy)-4-[[3-(hydroxymethyl)-2-methyl-phenyl]amino]-6-methoxy-quinoline-3-carboxamide Openeye Name: 7-(3-chloropropoxy)-4-[3-(hydroxymethyl)-2-methyl-anilino]-6-methoxy-quinoline-3-carboxamide CAS Name: 7-(3-chloropropoxy)-4-[3-(hydroxymethyl)-2-methylanilino]-6-methoxy-3-quinolinecarboxamide IUPAC Name: 7-(3-chloropropoxy)-4-[3-(hydroxymethyl)-2-methylanilino]-6-methoxyquinoline-3-carboxamide Traditional Name: 7-(3-chloropropoxy)-6-methoxy-4-(2-methyl-3-methylol-anilino)quinoline-3-carboxamide Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OCCCCl)C(=O)N)CO

Isomeric SMILES

CC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OCCCCl)C(=O)N)CO

InChI

InChI=1S/C22H24ClN3O4/c1-13-14(12-27)5-3-6-17(13)26-21-15-9-19(29-2)20(30-8-4-7-23)10-18(15)25-11-16(21)22(24)28/h3,5-6,9-11,27H,4,7-8,12H2,1-2H3,(H2,24,28)(H,25,26)