(phenylmethyl) 2-but-1-ynyl-3,3-dimethyl-4-oxidanylidene-1H-naphthalene-2-carboxylate

Systemtic Name: (phenylmethyl) 2-but-1-ynyl-3,3-dimethyl-4-oxidanylidene-1H-naphthalene-2-carboxylate Openeye Name: benzyl 2-but-1-ynyl-3,3-dimethyl-4-oxo-tetralin-2-carboxylate CAS Name: 2-but-1-ynyl-3,3-dimethyl-4-oxo-1H-naphthalene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-but-1-ynyl-3,3-dimethyl-4-oxo-1H-naphthalene-2-carboxylate Traditional Name: 2-but-1-ynyl-4-keto-3,3-dimethyl-tetralin-2-carboxylic acid benzyl ester Formula: C24H24O3 MolecularWeight: 360.44556

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1(CC2=CC=CC=C2C(=O)C1(C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC#CC1(CC2=CC=CC=C2C(=O)C1(C)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H24O3/c1-4-5-15-24(22(26)27-17-18-11-7-6-8-12-18)16-19-13-9-10-14-20(19)21(25)23(24,2)3/h6-14H,4,16-17H2,1-3H3