(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) benzoate; 2-prop-2-ynoxybutan-1-imine

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) benzoate; 2-prop-2-ynoxybutan-1-imine Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) benzoate; 2-prop-2-ynoxybutan-1-imine CAS Name: benzoic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester; 2-prop-2-ynoxy-1-butanimine IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) benzoate; 2-prop-2-ynoxybutan-1-imine Traditional Name: benzoic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester; 2-propargyloxybutylideneamine Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=N)OCC#C.CC1(CC(=CC(=O)C1)OC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCC(C=N)OCC#C.CC1(CC(=CC(=O)C1)OC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C15H16O3.C7H11NO/c1-15(2)9-12(16)8-13(10-15)18-14(17)11-6-4-3-5-7-11;1-3-5-9-7(4-2)6-8/h3-8H,9-10H2,1-2H3;1,6-8H,4-5H2,2H3