ethyl 4-[3-(3-tert-butyl-2-methoxy-5-phenyl-phenyl)-3-oxidanyl-prop-1-ynyl]benzoate

Systemtic Name: ethyl 4-[3-(3-tert-butyl-2-methoxy-5-phenyl-phenyl)-3-oxidanyl-prop-1-ynyl]benzoate Openeye Name: ethyl 4-[3-(3-tert-butyl-2-methoxy-5-phenyl-phenyl)-3-hydroxy-prop-1-ynyl]benzoate CAS Name: 4-[3-(3-tert-butyl-2-methoxy-5-phenylphenyl)-3-hydroxyprop-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-tert-butyl-2-methoxy-5-phenylphenyl)-3-hydroxyprop-1-ynyl]benzoate Traditional Name: 4-[3-(3-tert-butyl-2-methoxy-5-phenyl-phenyl)-3-hydroxy-prop-1-ynyl]benzoic acid ethyl ester Formula: C29H30O4 MolecularWeight: 442.5461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC(C2=C(C(=CC(=C2)C3=CC=CC=C3)C(C)(C)C)OC)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC(C2=C(C(=CC(=C2)C3=CC=CC=C3)C(C)(C)C)OC)O

InChI

InChI=1S/C29H30O4/c1-6-33-28(31)22-15-12-20(13-16-22)14-17-26(30)24-18-23(21-10-8-7-9-11-21)19-25(27(24)32-5)29(2,3)4/h7-13,15-16,18-19,26,30H,6H2,1-5H3