(2S,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(2-methylquinolin-8-yl)oxane-2-carboxamide

Systemtic Name: (2S,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(2-methylquinolin-8-yl)oxane-2-carboxamide Openeye Name: (2S,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(2-methyl-8-quinolyl)tetrahydropyran-2-carboxamide CAS Name: (2S,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(2-methyl-8-quinolinyl)-2-oxanecarboxamide IUPAC Name: (2S,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(2-methylquinolin-8-yl)oxane-2-carboxamide Traditional Name: (2S,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(2-methyl-8-quinolyl)tetrahydropyran-2-carboxamide Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC(=O)C3CCC(CO3)NCC4=CC5=C(C=C4)OCCO5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC(=O)[C@@H]3CC[C@H](CO3)NCC4=CC5=C(C=C4)OCCO5)C=C1

InChI

InChI=1S/C25H27N3O4/c1-16-5-7-18-3-2-4-20(24(18)27-16)28-25(29)22-10-8-19(15-32-22)26-14-17-6-9-21-23(13-17)31-12-11-30-21/h2-7,9,13,19,22,26H,8,10-12,14-15H2,1H3,(H,28,29)/t19-,22+/m1/s1