(4-methoxyphenyl)methyl 2-hex-1-ynylbenzoate

Systemtic Name: (4-methoxyphenyl)methyl 2-hex-1-ynylbenzoate Openeye Name: (4-methoxyphenyl)methyl 2-hex-1-ynylbenzoate CAS Name: 2-hex-1-ynylbenzoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 2-hex-1-ynylbenzoate Traditional Name: 2-hex-1-ynylbenzoic acid p-anisyl ester Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCC#CC1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H22O3/c1-3-4-5-6-9-18-10-7-8-11-20(18)21(22)24-16-17-12-14-19(23-2)15-13-17/h7-8,10-15H,3-5,16H2,1-2H3