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

Systemtic Name: ethyl 4-[3-(3,5-ditert-butyl-2-methoxy-phenyl)-3-methoxy-prop-1-ynyl]benzoate Openeye Name: ethyl 4-[3-(3,5-ditert-butyl-2-methoxy-phenyl)-3-methoxy-prop-1-ynyl]benzoate CAS Name: 4-[3-(3,5-ditert-butyl-2-methoxyphenyl)-3-methoxyprop-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3,5-ditert-butyl-2-methoxyphenyl)-3-methoxyprop-1-ynyl]benzoate Traditional Name: 4-[3-(3,5-ditert-butyl-2-methoxy-phenyl)-3-methoxy-prop-1-ynyl]benzoic acid ethyl ester Formula: C28H36O4 MolecularWeight: 436.58304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36O4/c1-10-32-26(29)20-14-11-19(12-15-20)13-16-24(30-8)22-17-21(27(2,3)4)18-23(25(22)31-9)28(5,6)7/h11-12,14-15,17-18,24H,10H2,1-9H3