methyl 3-[(E)-3-phenylprop-2-enoyl]azulene-1-carboxylate

Systemtic Name: methyl 3-[(E)-3-phenylprop-2-enoyl]azulene-1-carboxylate Openeye Name: methyl 3-[(E)-3-phenylprop-2-enoyl]azulene-1-carboxylate CAS Name: 3-[(E)-1-oxo-3-phenylprop-2-enyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(E)-3-phenylprop-2-enoyl]azulene-1-carboxylate Traditional Name: 3-[(E)-3-phenylacryloyl]azulene-1-carboxylic acid methyl ester Formula: C21H16O3 MolecularWeight: 316.34994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC=CC=C2C(=C1)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C2C=CC=CC=C2C(=C1)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H16O3/c1-24-21(23)19-14-18(16-10-6-3-7-11-17(16)19)20(22)13-12-15-8-4-2-5-9-15/h2-14H,1H3/b13-12+