methyl 3-[(E)-3-(4-methoxyphenyl)-3-oxidanylidene-prop-1-enyl]azulene-1-carboxylate

Systemtic Name: methyl 3-[(E)-3-(4-methoxyphenyl)-3-oxidanylidene-prop-1-enyl]azulene-1-carboxylate Openeye Name: methyl 3-[(E)-3-(4-methoxyphenyl)-3-oxo-prop-1-enyl]azulene-1-carboxylate CAS Name: 3-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]azulene-1-carboxylate Traditional Name: 3-[(E)-3-keto-3-(4-methoxyphenyl)prop-1-enyl]azulene-1-carboxylic acid methyl ester Formula: C22H18O4 MolecularWeight: 346.37592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C=CC2=CC(=C3C2=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C3C2=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H18O4/c1-25-17-11-8-15(9-12-17)21(23)13-10-16-14-20(22(24)26-2)19-7-5-3-4-6-18(16)19/h3-14H,1-2H3/b13-10+