[2-acetyloxy-4-[(E)-3-(1-adamantylamino)-3-oxidanylidene-prop-1-enyl]phenyl] ethanoate

Systemtic Name: [2-acetyloxy-4-[(E)-3-(1-adamantylamino)-3-oxidanylidene-prop-1-enyl]phenyl] ethanoate Openeye Name: [2-acetoxy-4-[(E)-3-(1-adamantylamino)-3-oxo-prop-1-enyl]phenyl] acetate CAS Name: acetic acid [2-acetyloxy-4-[(E)-3-(1-adamantylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-acetyloxy-4-[(E)-3-(1-adamantylamino)-3-oxoprop-1-enyl]phenyl] acetate Traditional Name: acetic acid [2-acetoxy-4-[(E)-3-(1-adamantylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C=CC(=O)NC23CC4CC(C2)CC(C4)C3)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)NC23CC4CC(C2)CC(C4)C3)OC(=O)C

InChI

InChI=1S/C23H27NO5/c1-14(25)28-20-5-3-16(10-21(20)29-15(2)26)4-6-22(27)24-23-11-17-7-18(12-23)9-19(8-17)13-23/h3-6,10,17-19H,7-9,11-13H2,1-2H3,(H,24,27)/b6-4+