methyl (1R,2R,4S)-4-methyl-4-phenylmethoxy-2-prop-2-ynyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2R,4S)-4-methyl-4-phenylmethoxy-2-prop-2-ynyl-cyclohexane-1-carboxylate Openeye Name: methyl (1R,2R,4S)-4-benzyloxy-4-methyl-2-prop-2-ynyl-cyclohexanecarboxylate CAS Name: (1R,2R,4S)-4-methyl-4-phenylmethoxy-2-prop-2-ynyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R,4S)-4-methyl-4-phenylmethoxy-2-prop-2-ynylcyclohexane-1-carboxylate Traditional Name: (1R,2R,4S)-4-benzoxy-4-methyl-2-propargyl-cyclohexanecarboxylic acid methyl ester Formula: C19H24O3 MolecularWeight: 300.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C(C1)CC#C)C(=O)OC)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@]1(CC[C@H]([C@@H](C1)CC#C)C(=O)OC)OCC2=CC=CC=C2

InChI

InChI=1S/C19H24O3/c1-4-8-16-13-19(2,12-11-17(16)18(20)21-3)22-14-15-9-6-5-7-10-15/h1,5-7,9-10,16-17H,8,11-14H2,2-3H3/t16-,17-,19+/m1/s1