dimethyl (3R,4S)-3-ethynyl-4-(phenoxymethyl)cyclopentane-1,1-dicarboxylate

Systemtic Name: dimethyl (3R,4S)-3-ethynyl-4-(phenoxymethyl)cyclopentane-1,1-dicarboxylate Openeye Name: dimethyl (3R,4S)-3-ethynyl-4-(phenoxymethyl)cyclopentane-1,1-dicarboxylate CAS Name: (3R,4S)-3-ethynyl-4-(phenoxymethyl)cyclopentane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3R,4S)-3-ethynyl-4-(phenoxymethyl)cyclopentane-1,1-dicarboxylate Traditional Name: (3R,4S)-3-ethynyl-4-(phenoxymethyl)cyclopentane-1,1-dicarboxylic acid dimethyl ester Formula: C18H20O5 MolecularWeight: 316.3484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(C(C1)C#C)COC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1(C[C@@H]([C@@H](C1)C#C)COC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H20O5/c1-4-13-10-18(16(19)21-2,17(20)22-3)11-14(13)12-23-15-8-6-5-7-9-15/h1,5-9,13-14H,10-12H2,2-3H3/t13-,14-/m1/s1