methyl 4-[(E)-[(3S,6R)-6-methyl-2-oxidanylidene-3-propan-2-yl-cyclohexylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[(3S,6R)-6-methyl-2-oxidanylidene-3-propan-2-yl-cyclohexylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[(3S,6R)-3-isopropyl-6-methyl-2-oxo-cyclohexylidene]methyl]benzoate CAS Name: 4-[(E)-[(3S,6R)-6-methyl-2-oxo-3-propan-2-ylcyclohexylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[(3S,6R)-6-methyl-2-oxo-3-propan-2-ylcyclohexylidene]methyl]benzoate Traditional Name: 4-[(E)-[(3S,6R)-3-isopropyl-2-keto-6-methyl-cyclohexylidene]methyl]benzoic acid methyl ester Formula: C19H24O3 MolecularWeight: 300.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1=CC2=CC=C(C=C2)C(=O)OC)C(C)C

Isomeric SMILES

C[C@@H]\1CC[C@H](C(=O)/C1=C/C2=CC=C(C=C2)C(=O)OC)C(C)C

InChI

InChI=1S/C19H24O3/c1-12(2)16-10-5-13(3)17(18(16)20)11-14-6-8-15(9-7-14)19(21)22-4/h6-9,11-13,16H,5,10H2,1-4H3/b17-11+/t13-,16+/m1/s1