methyl 4-methyl-3-phenyl-cyclohepta-1,5-diene-1-carboxylate

Systemtic Name: methyl 4-methyl-3-phenyl-cyclohepta-1,5-diene-1-carboxylate Openeye Name: methyl 4-methyl-3-phenyl-cyclohepta-1,5-diene-1-carboxylate CAS Name: 4-methyl-3-phenyl-1-cyclohepta-1,5-dienecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-3-phenylcyclohepta-1,5-diene-1-carboxylate Traditional Name: 4-methyl-3-phenyl-cyclohepta-1,5-diene-1-carboxylic acid methyl ester Formula: C16H18O2 MolecularWeight: 242.31292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCC(=CC1C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1C=CCC(=CC1C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H18O2/c1-12-7-6-10-14(16(17)18-2)11-15(12)13-8-4-3-5-9-13/h3-9,11-12,15H,10H2,1-2H3