1-phenylethyl 2-methanoyl-3,6-dimethyl-cyclohexane-1-carboxylate

Systemtic Name: 1-phenylethyl 2-methanoyl-3,6-dimethyl-cyclohexane-1-carboxylate Openeye Name: 1-phenylethyl 2-formyl-3,6-dimethyl-cyclohexanecarboxylate CAS Name: 2-formyl-3,6-dimethyl-1-cyclohexanecarboxylic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 2-formyl-3,6-dimethylcyclohexane-1-carboxylate Traditional Name: 2-formyl-3,6-dimethyl-cyclohexanecarboxylic acid 1-phenylethyl ester Formula: C18H24O3 MolecularWeight: 288.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1C=O)C(=O)OC(C)C2=CC=CC=C2)C

Isomeric SMILES

CC1CCC(C(C1C=O)C(=O)OC(C)C2=CC=CC=C2)C

InChI

InChI=1S/C18H24O3/c1-12-9-10-13(2)17(16(12)11-19)18(20)21-14(3)15-7-5-4-6-8-15/h4-8,11-14,16-17H,9-10H2,1-3H3