methyl (3S,4S,7S)-7-(acetyloxymethyl)-4-methyl-3-phenyl-cyclohepta-1,5-diene-1-carboxylate

Systemtic Name: methyl (3S,4S,7S)-7-(acetyloxymethyl)-4-methyl-3-phenyl-cyclohepta-1,5-diene-1-carboxylate Openeye Name: methyl (3S,4S,7S)-7-(acetoxymethyl)-4-methyl-3-phenyl-cyclohepta-1,5-diene-1-carboxylate CAS Name: (3S,4S,7S)-7-(acetyloxymethyl)-4-methyl-3-phenyl-1-cyclohepta-1,5-dienecarboxylic acid methyl ester IUPAC Name: methyl (3S,4S,7S)-7-(acetyloxymethyl)-4-methyl-3-phenylcyclohepta-1,5-diene-1-carboxylate Traditional Name: (3S,4S,7S)-7-(acetoxymethyl)-4-methyl-3-phenyl-cyclohepta-1,5-diene-1-carboxylic acid methyl ester Formula: C19H22O4 MolecularWeight: 314.37558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1C=C[C@@H](C(=C[C@H]1C2=CC=CC=C2)C(=O)OC)COC(=O)C

InChI

InChI=1S/C19H22O4/c1-13-9-10-16(12-23-14(2)20)18(19(21)22-3)11-17(13)15-7-5-4-6-8-15/h4-11,13,16-17H,12H2,1-3H3/t13-,16+,17+/m0/s1