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

Systemtic Name: 4-[[2-ethyl-3-(hydroxymethyl)phenyl]amino]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline-3-carboxamide Openeye Name: 4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(1-piperidyl)propoxy]quinoline-3-carboxamide CAS Name: 4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(1-piperidinyl)propoxy]-3-quinolinecarboxamide IUPAC Name: 4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline-3-carboxamide Traditional Name: 4-(2-ethyl-3-methylol-anilino)-6-methoxy-7-(3-piperidinopropoxy)quinoline-3-carboxamide Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OCCCN4CCCCC4)C(=O)N)CO

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OCCCN4CCCCC4)C(=O)N)CO

InChI

InChI=1S/C28H36N4O4/c1-3-20-19(18-33)9-7-10-23(20)31-27-21-15-25(35-2)26(16-24(21)30-17-22(27)28(29)34)36-14-8-13-32-11-5-4-6-12-32/h7,9-10,15-17,33H,3-6,8,11-14,18H2,1-2H3,(H2,29,34)(H,30,31)