(2,6-dimethyl-4-prop-2-ynyl-phenyl)methyl 2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: (2,6-dimethyl-4-prop-2-ynyl-phenyl)methyl 2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: (2,6-dimethyl-4-prop-2-ynyl-phenyl)methyl 2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: 2-(4-chlorophenyl)-3-methylbutanoic acid (2,6-dimethyl-4-prop-2-ynylphenyl)methyl ester IUPAC Name: (2,6-dimethyl-4-prop-2-ynylphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: 2-(4-chlorophenyl)-3-methyl-butyric acid (2,6-dimethyl-4-propargyl-benzyl) ester Formula: C23H25ClO2 MolecularWeight: 368.8964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C(C2=CC=C(C=C2)Cl)C(C)C)C)CC#C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C(C2=CC=C(C=C2)Cl)C(C)C)C)CC#C

InChI

InChI=1S/C23H25ClO2/c1-6-7-18-12-16(4)21(17(5)13-18)14-26-23(25)22(15(2)3)19-8-10-20(24)11-9-19/h1,8-13,15,22H,7,14H2,2-5H3