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

Systemtic Name: methyl 4-[3-(3-tert-butyl-4-propoxy-phenyl)-3-oxidanyl-prop-1-ynyl]benzoate Openeye Name: methyl 4-[3-(3-tert-butyl-4-propoxy-phenyl)-3-hydroxy-prop-1-ynyl]benzoate CAS Name: 4-[3-(3-tert-butyl-4-propoxyphenyl)-3-hydroxyprop-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(3-tert-butyl-4-propoxyphenyl)-3-hydroxyprop-1-ynyl]benzoate Traditional Name: 4-[3-(3-tert-butyl-4-propoxy-phenyl)-3-hydroxy-prop-1-ynyl]benzoic acid methyl ester Formula: C24H28O4 MolecularWeight: 380.47672

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C#CC2=CC=C(C=C2)C(=O)OC)O)C(C)(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(C#CC2=CC=C(C=C2)C(=O)OC)O)C(C)(C)C

InChI

InChI=1S/C24H28O4/c1-6-15-28-22-14-12-19(16-20(22)24(2,3)4)21(25)13-9-17-7-10-18(11-8-17)23(26)27-5/h7-8,10-12,14,16,21,25H,6,15H2,1-5H3