methyl 3-[(E)-3-(4-methylphenyl)prop-2-enoyl]azulene-1-carboxylate

Systemtic Name: methyl 3-[(E)-3-(4-methylphenyl)prop-2-enoyl]azulene-1-carboxylate Openeye Name: methyl 3-[(E)-3-(p-tolyl)prop-2-enoyl]azulene-1-carboxylate CAS Name: 3-[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(E)-3-(4-methylphenyl)prop-2-enoyl]azulene-1-carboxylate Traditional Name: 3-[(E)-3-(p-tolyl)acryloyl]azulene-1-carboxylic acid methyl ester Formula: C22H18O3 MolecularWeight: 330.37652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)C2=CC(=C3C2=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)C2=CC(=C3C2=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H18O3/c1-15-8-10-16(11-9-15)12-13-21(23)19-14-20(22(24)25-2)18-7-5-3-4-6-17(18)19/h3-14H,1-2H3/b13-12+