[(2S)-1-phenylmethoxyhept-4-yn-2-yl] benzoate

Systemtic Name: [(2S)-1-phenylmethoxyhept-4-yn-2-yl] benzoate Openeye Name: [(1S)-1-(benzyloxymethyl)hex-3-ynyl] benzoate CAS Name: benzoic acid [(2S)-1-phenylmethoxyhept-4-yn-2-yl] ester IUPAC Name: [(2S)-1-phenylmethoxyhept-4-yn-2-yl] benzoate Traditional Name: benzoic acid [(1S)-1-(benzoxymethyl)hex-3-ynyl] ester Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCC(COCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC#CC[C@@H](COCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22O3/c1-2-3-6-15-20(17-23-16-18-11-7-4-8-12-18)24-21(22)19-13-9-5-10-14-19/h4-5,7-14,20H,2,15-17H2,1H3/t20-/m0/s1