(E)-4-(8-cyclohexyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(8-cyclohexyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(8-cyclohexyl-2-isopropyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(8-cyclohexyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(8-cyclohexyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(8-cyclohexyl-2-isopropyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-keto-but-2-enoic acid Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(C2=CC=CC(=C2O1)C3CCCCC3)C(=O)C=CC(=O)O

Isomeric SMILES

CC(C)C1CN(C2=CC=CC(=C2O1)C3CCCCC3)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C21H27NO4/c1-14(2)18-13-22(19(23)11-12-20(24)25)17-10-6-9-16(21(17)26-18)15-7-4-3-5-8-15/h6,9-12,14-15,18H,3-5,7-8,13H2,1-2H3,(H,24,25)/b12-11+