N-(1-azanyl-1-oxidanylidene-butan-2-yl)-3-(3-morpholin-4-ylphenoxy)-4,5-bis(oxidanyl)cyclohexene-1-carboxamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-butan-2-yl)-3-(3-morpholin-4-ylphenoxy)-4,5-bis(oxidanyl)cyclohexene-1-carboxamide Openeye Name: N-(1-carbamoylpropyl)-4,5-dihydroxy-3-(3-morpholinophenoxy)cyclohexene-1-carboxamide CAS Name: N-(1-amino-1-oxobutan-2-yl)-4,5-dihydroxy-3-[3-(4-morpholinyl)phenoxy]-1-cyclohexenecarboxamide IUPAC Name: N-(1-amino-1-oxobutan-2-yl)-4,5-dihydroxy-3-(3-morpholin-4-ylphenoxy)cyclohexene-1-carboxamide Traditional Name: N-(1-carbamoylpropyl)-4,5-dihydroxy-3-(3-morpholinophenoxy)cyclohexene-1-carboxamide Formula: C21H29N3O6 MolecularWeight: 419.47146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)NC(=O)C1=CC(C(C(C1)O)O)OC2=CC=CC(=C2)N3CCOCC3

Isomeric SMILES

CCC(C(=O)N)NC(=O)C1=CC(C(C(C1)O)O)OC2=CC=CC(=C2)N3CCOCC3

InChI

InChI=1S/C21H29N3O6/c1-2-16(20(22)27)23-21(28)13-10-17(25)19(26)18(11-13)30-15-5-3-4-14(12-15)24-6-8-29-9-7-24/h3-5,11-12,16-19,25-26H,2,6-10H2,1H3,(H2,22,27)(H,23,28)