[(1R,2R)-3-methanoyl-4-methyl-2-(2-oxidanylideneethyl)cyclopent-3-en-1-yl] 4-methoxybenzoate

Systemtic Name: [(1R,2R)-3-methanoyl-4-methyl-2-(2-oxidanylideneethyl)cyclopent-3-en-1-yl] 4-methoxybenzoate Openeye Name: [(1R,2R)-3-formyl-4-methyl-2-(2-oxoethyl)cyclopent-3-en-1-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(1R,2R)-3-formyl-4-methyl-2-(2-oxoethyl)-1-cyclopent-3-enyl] ester IUPAC Name: [(1R,2R)-3-formyl-4-methyl-2-(2-oxoethyl)cyclopent-3-en-1-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1R,2R)-3-formyl-2-(2-ketoethyl)-4-methyl-cyclopent-3-en-1-yl] ester Formula: C17H18O5 MolecularWeight: 302.32182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C([C@H]([C@@H](C1)OC(=O)C2=CC=C(C=C2)OC)CC=O)C=O

InChI

InChI=1S/C17H18O5/c1-11-9-16(14(7-8-18)15(11)10-19)22-17(20)12-3-5-13(21-2)6-4-12/h3-6,8,10,14,16H,7,9H2,1-2H3/t14-,16-/m1/s1