3-[[2-[2-(4-aminophenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]-cyclohexa-1,5-dien-1-yl-amino]propanamide

Systemtic Name: 3-[[2-[2-(4-aminophenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]-cyclohexa-1,5-dien-1-yl-amino]propanamide Openeye Name: 3-[[2-[2-(4-aminophenyl)ethyl]-6-hydroxy-2-isopropyl-4-oxo-3H-pyran-5-yl]-cyclohexa-1,5-dien-1-yl-amino]propanamide CAS Name: 3-[[2-[2-(4-aminophenyl)ethyl]-6-hydroxy-4-oxo-2-propan-2-yl-3H-pyran-5-yl]-(1-cyclohexa-1,5-dienyl)amino]propanamide IUPAC Name: 3-[[2-[2-(4-aminophenyl)ethyl]-6-hydroxy-4-oxo-2-propan-2-yl-3H-pyran-5-yl]-cyclohexa-1,5-dien-1-ylamino]propanamide Traditional Name: 3-[[2-[2-(4-aminophenyl)ethyl]-6-hydroxy-2-isopropyl-4-keto-3H-pyran-5-yl]-cyclohexa-1,5-dien-1-yl-amino]propionamide Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=O)C(=C(O1)O)N(CCC(=O)N)C2=CCCC=C2)CCC3=CC=C(C=C3)N

Isomeric SMILES

CC(C)C1(CC(=O)C(=C(O1)O)N(CCC(=O)N)C2=CCCC=C2)CCC3=CC=C(C=C3)N

InChI

InChI=1S/C25H33N3O4/c1-17(2)25(14-12-18-8-10-19(26)11-9-18)16-21(29)23(24(31)32-25)28(15-13-22(27)30)20-6-4-3-5-7-20/h4,6-11,17,31H,3,5,12-16,26H2,1-2H3,(H2,27,30)