4-[[3-(hydroxymethyl)-2-methyl-phenyl]amino]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline-3-carboxamide

Systemtic Name: 4-[[3-(hydroxymethyl)-2-methyl-phenyl]amino]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline-3-carboxamide Openeye Name: 4-[3-(hydroxymethyl)-2-methyl-anilino]-6-methoxy-7-[3-(1-piperidyl)propoxy]quinoline-3-carboxamide CAS Name: 4-[3-(hydroxymethyl)-2-methylanilino]-6-methoxy-7-[3-(1-piperidinyl)propoxy]-3-quinolinecarboxamide IUPAC Name: 4-[3-(hydroxymethyl)-2-methylanilino]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline-3-carboxamide Traditional Name: 6-methoxy-4-(2-methyl-3-methylol-anilino)-7-(3-piperidinopropoxy)quinoline-3-carboxamide Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OCCCN4CCCCC4)C(=O)N)CO

Isomeric SMILES

CC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OCCCN4CCCCC4)C(=O)N)CO

InChI

InChI=1S/C27H34N4O4/c1-18-19(17-32)8-6-9-22(18)30-26-20-14-24(34-2)25(15-23(20)29-16-21(26)27(28)33)35-13-7-12-31-10-4-3-5-11-31/h6,8-9,14-16,32H,3-5,7,10-13,17H2,1-2H3,(H2,28,33)(H,29,30)