dimethyl 2-[(S)-naphthalen-1-yl-[(1S)-2-oxidanylidenecyclohexyl]methyl]propanedioate

Systemtic Name: dimethyl 2-[(S)-naphthalen-1-yl-[(1S)-2-oxidanylidenecyclohexyl]methyl]propanedioate Openeye Name: dimethyl 2-[(S)-1-naphthyl-[(1S)-2-oxocyclohexyl]methyl]propanedioate CAS Name: 2-[(S)-1-naphthalenyl-[(1S)-2-oxocyclohexyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(S)-naphthalen-1-yl-[(1S)-2-oxocyclohexyl]methyl]propanedioate Traditional Name: 2-[(S)-[(1S)-2-ketocyclohexyl]-(1-naphthyl)methyl]malonic acid dimethyl ester Formula: C22H24O5 MolecularWeight: 368.42296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1CCCCC1=O)C2=CC=CC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC(=O)C([C@H]([C@@H]1CCCCC1=O)C2=CC=CC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C22H24O5/c1-26-21(24)20(22(25)27-2)19(17-11-5-6-13-18(17)23)16-12-7-9-14-8-3-4-10-15(14)16/h3-4,7-10,12,17,19-20H,5-6,11,13H2,1-2H3/t17-,19+/m1/s1