4-prop-2-ynoxybut-2-ynyl 2-(3-chloranyl-4-ethoxy-phenyl)-3-methyl-butanoate

Systemtic Name: 4-prop-2-ynoxybut-2-ynyl 2-(3-chloranyl-4-ethoxy-phenyl)-3-methyl-butanoate Openeye Name: 4-prop-2-ynoxybut-2-ynyl 2-(3-chloro-4-ethoxy-phenyl)-3-methyl-butanoate CAS Name: 2-(3-chloro-4-ethoxyphenyl)-3-methylbutanoic acid 4-prop-2-ynoxybut-2-ynyl ester IUPAC Name: 4-prop-2-ynoxybut-2-ynyl 2-(3-chloro-4-ethoxyphenyl)-3-methylbutanoate Traditional Name: 2-(3-chloro-4-ethoxy-phenyl)-3-methyl-butyric acid 4-propargyloxybut-2-ynyl ester Formula: C20H23ClO4 MolecularWeight: 362.84722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C(C)C)C(=O)OCC#CCOCC#C)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C(C)C)C(=O)OCC#CCOCC#C)Cl

InChI

InChI=1S/C20H23ClO4/c1-5-11-23-12-7-8-13-25-20(22)19(15(3)4)16-9-10-18(24-6-2)17(21)14-16/h1,9-10,14-15,19H,6,11-13H2,2-4H3