4-[[3-(hydroxymethyl)-2-methyl-phenyl]amino]-6-methoxy-7-[3-(3-oxidanylpiperidin-1-yl)propoxy]quinoline-3-carboxamide

Systemtic Name: 4-[[3-(hydroxymethyl)-2-methyl-phenyl]amino]-6-methoxy-7-[3-(3-oxidanylpiperidin-1-yl)propoxy]quinoline-3-carboxamide Openeye Name: 4-[3-(hydroxymethyl)-2-methyl-anilino]-7-[3-(3-hydroxy-1-piperidyl)propoxy]-6-methoxy-quinoline-3-carboxamide CAS Name: 4-[3-(hydroxymethyl)-2-methylanilino]-7-[3-(3-hydroxy-1-piperidinyl)propoxy]-6-methoxy-3-quinolinecarboxamide IUPAC Name: 4-[3-(hydroxymethyl)-2-methylanilino]-7-[3-(3-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinoline-3-carboxamide Traditional Name: 7-[3-(3-hydroxypiperidino)propoxy]-6-methoxy-4-(2-methyl-3-methylol-anilino)quinoline-3-carboxamide Formula: C27H34N4O5 MolecularWeight: 494.58266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OCCCN4CCCC(C4)O)C(=O)N)CO

Isomeric SMILES

CC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OCCCN4CCCC(C4)O)C(=O)N)CO

InChI

InChI=1S/C27H34N4O5/c1-17-18(16-32)6-3-8-22(17)30-26-20-12-24(35-2)25(13-23(20)29-14-21(26)27(28)34)36-11-5-10-31-9-4-7-19(33)15-31/h3,6,8,12-14,19,32-33H,4-5,7,9-11,15-16H2,1-2H3,(H2,28,34)(H,29,30)