4-[[2-ethyl-3-(hydroxymethyl)phenyl]amino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide

Systemtic Name: 4-[[2-ethyl-3-(hydroxymethyl)phenyl]amino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide Openeye Name: 4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide CAS Name: 4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]-3-quinolinecarboxamide IUPAC Name: 4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide Traditional Name: 4-(2-ethyl-3-methylol-anilino)-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCCCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC=CC(=C3CC)CO)C(=O)N)OC

Isomeric SMILES

CCCNCCCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC=CC(=C3CC)CO)C(=O)N)OC

InChI

InChI=1S/C26H34N4O4/c1-4-10-28-11-7-12-34-24-14-22-19(13-23(24)33-3)25(20(15-29-22)26(27)32)30-21-9-6-8-17(16-31)18(21)5-2/h6,8-9,13-15,28,31H,4-5,7,10-12,16H2,1-3H3,(H2,27,32)(H,29,30)