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

Systemtic Name: 4-[[2-ethyl-3-(hydroxymethyl)phenyl]amino]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide Openeye Name: 4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide CAS Name: 4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-3-quinolinecarboxamide IUPAC Name: 4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide Traditional Name: 4-(2-ethyl-3-methylol-anilino)-6-methoxy-7-(3-pyrrolidinopropoxy)quinoline-3-carboxamide Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C(=O)N)CO

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C(=O)N)CO

InChI

InChI=1S/C27H34N4O4/c1-3-19-18(17-32)8-6-9-22(19)30-26-20-14-24(34-2)25(15-23(20)29-16-21(26)27(28)33)35-13-7-12-31-10-4-5-11-31/h6,8-9,14-16,32H,3-5,7,10-13,17H2,1-2H3,(H2,28,33)(H,29,30)