[4-ethyl-2-methoxy-6-(4-methyl-3-oxidanyl-pent-1-ynyl)phenyl] 4-methoxybenzoate

Systemtic Name: [4-ethyl-2-methoxy-6-(4-methyl-3-oxidanyl-pent-1-ynyl)phenyl] 4-methoxybenzoate Openeye Name: [4-ethyl-2-(3-hydroxy-4-methyl-pent-1-ynyl)-6-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-ethyl-2-(3-hydroxy-4-methylpent-1-ynyl)-6-methoxyphenyl] ester IUPAC Name: [4-ethyl-2-(3-hydroxy-4-methylpent-1-ynyl)-6-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-ethyl-2-(3-hydroxy-4-methyl-pent-1-ynyl)-6-methoxy-phenyl] ester Formula: C23H26O5 MolecularWeight: 382.44954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C#CC(C(C)C)O)OC(=O)C2=CC=C(C=C2)OC)OC

Isomeric SMILES

CCC1=CC(=C(C(=C1)C#CC(C(C)C)O)OC(=O)C2=CC=C(C=C2)OC)OC

InChI

InChI=1S/C23H26O5/c1-6-16-13-18(9-12-20(24)15(2)3)22(21(14-16)27-5)28-23(25)17-7-10-19(26-4)11-8-17/h7-8,10-11,13-15,20,24H,6H2,1-5H3