[(E)-3-[3-(1-adamantyl)-4-(methoxymethoxy)phenyl]-3-oxidanylidene-prop-1-enyl] benzoate

Systemtic Name: [(E)-3-[3-(1-adamantyl)-4-(methoxymethoxy)phenyl]-3-oxidanylidene-prop-1-enyl] benzoate Openeye Name: [(E)-3-[3-(1-adamantyl)-4-(methoxymethoxy)phenyl]-3-oxo-prop-1-enyl] benzoate CAS Name: benzoic acid [(E)-3-[3-(1-adamantyl)-4-(methoxymethoxy)phenyl]-3-oxoprop-1-enyl] ester IUPAC Name: [(E)-3-[3-(1-adamantyl)-4-(methoxymethoxy)phenyl]-3-oxoprop-1-enyl] benzoate Traditional Name: benzoic acid [(E)-3-[3-(1-adamantyl)-4-(methoxymethoxy)phenyl]-3-keto-prop-1-enyl] ester Formula: C28H30O5 MolecularWeight: 446.5348

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Descriptors Computed from Structure

Canonical SMILES:

COCOC1=C(C=C(C=C1)C(=O)C=COC(=O)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COCOC1=C(C=C(C=C1)C(=O)/C=C/OC(=O)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H30O5/c1-31-18-33-26-8-7-23(25(29)9-10-32-27(30)22-5-3-2-4-6-22)14-24(26)28-15-19-11-20(16-28)13-21(12-19)17-28/h2-10,14,19-21H,11-13,15-18H2,1H3/b10-9+