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

Systemtic Name: 4-[[3-(hydroxymethyl)-2-methyl-phenyl]amino]-7-methoxy-6-octoxy-quinoline-3-carboxamide Openeye Name: 4-[3-(hydroxymethyl)-2-methyl-anilino]-7-methoxy-6-octoxy-quinoline-3-carboxamide CAS Name: 4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-octoxy-3-quinolinecarboxamide IUPAC Name: 4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-octoxyquinoline-3-carboxamide Traditional Name: 7-methoxy-4-(2-methyl-3-methylol-anilino)-6-octoxy-quinoline-3-carboxamide Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C2C(=C1)C(=C(C=N2)C(=O)N)NC3=CC=CC(=C3C)CO)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C2C(=C1)C(=C(C=N2)C(=O)N)NC3=CC=CC(=C3C)CO)OC

InChI

InChI=1S/C27H35N3O4/c1-4-5-6-7-8-9-13-34-25-14-20-23(15-24(25)33-3)29-16-21(27(28)32)26(20)30-22-12-10-11-19(17-31)18(22)2/h10-12,14-16,31H,4-9,13,17H2,1-3H3,(H2,28,32)(H,29,30)