tert-butyl 2-(2-phenylethanoyl)pent-4-ynoate

Systemtic Name: tert-butyl 2-(2-phenylethanoyl)pent-4-ynoate Openeye Name: tert-butyl 2-(2-phenylacetyl)pent-4-ynoate CAS Name: 2-(1-oxo-2-phenylethyl)-4-pentynoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-phenylacetyl)pent-4-ynoate Traditional Name: 2-(2-phenylacetyl)pent-4-ynoic acid tert-butyl ester Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC#C)C(=O)CC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)C(CC#C)C(=O)CC1=CC=CC=C1

InChI

InChI=1S/C17H20O3/c1-5-9-14(16(19)20-17(2,3)4)15(18)12-13-10-7-6-8-11-13/h1,6-8,10-11,14H,9,12H2,2-4H3