(2S)-2-[[2-(2-chloranylprop-2-enoxy)-6,7-dimethoxy-quinolin-3-yl]methylamino]-4-methyl-pentanamide

Systemtic Name: (2S)-2-[[2-(2-chloranylprop-2-enoxy)-6,7-dimethoxy-quinolin-3-yl]methylamino]-4-methyl-pentanamide Openeye Name: (2S)-2-[[2-(2-chloroallyloxy)-6,7-dimethoxy-3-quinolyl]methylamino]-4-methyl-pentanamide CAS Name: (2S)-2-[[2-(2-chloroprop-2-enoxy)-6,7-dimethoxy-3-quinolinyl]methylamino]-4-methylpentanamide IUPAC Name: (2S)-2-[[2-(2-chloroprop-2-enoxy)-6,7-dimethoxyquinolin-3-yl]methylamino]-4-methylpentanamide Traditional Name: (2S)-2-[[2-(2-chloroallyloxy)-6,7-dimethoxy-3-quinolyl]methylamino]-4-methyl-valeramide Formula: C21H28ClN3O4 MolecularWeight: 421.91772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NCC1=C(N=C2C=C(C(=CC2=C1)OC)OC)OCC(=C)Cl

Isomeric SMILES

CC(C)C[C@@H](C(=O)N)NCC1=C(N=C2C=C(C(=CC2=C1)OC)OC)OCC(=C)Cl

InChI

InChI=1S/C21H28ClN3O4/c1-12(2)6-17(20(23)26)24-10-15-7-14-8-18(27-4)19(28-5)9-16(14)25-21(15)29-11-13(3)22/h7-9,12,17,24H,3,6,10-11H2,1-2,4-5H3,(H2,23,26)/t17-/m0/s1