4-[[3-(hydroxymethyl)-2-methyl-phenyl]amino]-6,7-dimethoxy-quinoline-3-carbonitrile

Systemtic Name: 4-[[3-(hydroxymethyl)-2-methyl-phenyl]amino]-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 4-[3-(hydroxymethyl)-2-methyl-anilino]-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 4-[3-(hydroxymethyl)-2-methylanilino]-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 4-[3-(hydroxymethyl)-2-methylanilino]-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 6,7-dimethoxy-4-(2-methyl-3-methylol-anilino)quinoline-3-carbonitrile Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3/c1-12-13(11-24)5-4-6-16(12)23-20-14(9-21)10-22-17-8-19(26-3)18(25-2)7-15(17)20/h4-8,10,24H,11H2,1-3H3,(H,22,23)