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

Systemtic Name: 4-[[3-(hydroxymethyl)-2-methyl-phenyl]amino]-7-methoxy-6-phenylmethoxy-quinoline-3-carboxamide Openeye Name: 6-benzyloxy-4-[3-(hydroxymethyl)-2-methyl-anilino]-7-methoxy-quinoline-3-carboxamide CAS Name: 4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxy-3-quinolinecarboxamide IUPAC Name: 4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide Traditional Name: 6-benzoxy-7-methoxy-4-(2-methyl-3-methylol-anilino)quinoline-3-carboxamide Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC4=CC=CC=C4)OC)C(=O)N)CO

Isomeric SMILES

CC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC4=CC=CC=C4)OC)C(=O)N)CO

InChI

InChI=1S/C26H25N3O4/c1-16-18(14-30)9-6-10-21(16)29-25-19-11-24(33-15-17-7-4-3-5-8-17)23(32-2)12-22(19)28-13-20(25)26(27)31/h3-13,30H,14-15H2,1-2H3,(H2,27,31)(H,28,29)