methyl 4-[3-(3-tert-butyl-4-methoxy-phenyl)-3-oxidanyl-prop-1-ynyl]benzoate

Systemtic Name: methyl 4-[3-(3-tert-butyl-4-methoxy-phenyl)-3-oxidanyl-prop-1-ynyl]benzoate Openeye Name: methyl 4-[3-(3-tert-butyl-4-methoxy-phenyl)-3-hydroxy-prop-1-ynyl]benzoate CAS Name: 4-[3-(3-tert-butyl-4-methoxyphenyl)-3-hydroxyprop-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(3-tert-butyl-4-methoxyphenyl)-3-hydroxyprop-1-ynyl]benzoate Traditional Name: 4-[3-(3-tert-butyl-4-methoxy-phenyl)-3-hydroxy-prop-1-ynyl]benzoic acid methyl ester Formula: C22H24O4 MolecularWeight: 352.42356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C(C#CC2=CC=C(C=C2)C(=O)OC)O)OC

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C(C#CC2=CC=C(C=C2)C(=O)OC)O)OC

InChI

InChI=1S/C22H24O4/c1-22(2,3)18-14-17(11-13-20(18)25-4)19(23)12-8-15-6-9-16(10-7-15)21(24)26-5/h6-7,9-11,13-14,19,23H,1-5H3