prop-2-enyl 2-(2-methylphenyl)carbonylhept-6-ynoate

Systemtic Name: prop-2-enyl 2-(2-methylphenyl)carbonylhept-6-ynoate Openeye Name: allyl 2-(2-methylbenzoyl)hept-6-ynoate CAS Name: 2-[(2-methylphenyl)-oxomethyl]-6-heptynoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-(2-methylbenzoyl)hept-6-ynoate Traditional Name: 2-o-toluoylhept-6-ynoic acid allyl ester Formula: C18H20O3 MolecularWeight: 284.3496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(CCCC#C)C(=O)OCC=C

Isomeric SMILES

CC1=CC=CC=C1C(=O)C(CCCC#C)C(=O)OCC=C

InChI

InChI=1S/C18H20O3/c1-4-6-7-12-16(18(20)21-13-5-2)17(19)15-11-9-8-10-14(15)3/h1,5,8-11,16H,2,6-7,12-13H2,3H3