[1-[2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]-5-phenyl-pent-1-yn-3-yl] benzoate

Systemtic Name: [1-[2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]-5-phenyl-pent-1-yn-3-yl] benzoate Openeye Name: [3-[3-(benzyloxymethyl)-2-methyl-oxiran-2-yl]-1-phenethyl-prop-2-ynyl] benzoate CAS Name: benzoic acid [1-[2-methyl-3-(phenylmethoxymethyl)-2-oxiranyl]-5-phenylpent-1-yn-3-yl] ester IUPAC Name: [1-[2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]-5-phenylpent-1-yn-3-yl] benzoate Traditional Name: benzoic acid [3-[3-(benzoxymethyl)-2-methyl-oxiran-2-yl]-1-phenethyl-prop-2-ynyl] ester Formula: C29H28O4 MolecularWeight: 440.53022

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(O1)COCC2=CC=CC=C2)C#CC(CCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1(C(O1)COCC2=CC=CC=C2)C#CC(CCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H28O4/c1-29(27(33-29)22-31-21-24-13-7-3-8-14-24)20-19-26(18-17-23-11-5-2-6-12-23)32-28(30)25-15-9-4-10-16-25/h2-16,26-27H,17-18,21-22H2,1H3