ethyl 4-[2-[5-(2-ethoxy-2-oxidanylidene-ethyl)-8,8-dimethyl-7H-naphthalen-2-yl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[5-(2-ethoxy-2-oxidanylidene-ethyl)-8,8-dimethyl-7H-naphthalen-2-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[5-(2-ethoxy-2-oxo-ethyl)-8,8-dimethyl-7H-naphthalen-2-yl]ethynyl]benzoate CAS Name: 4-[2-[5-(2-ethoxy-2-oxoethyl)-8,8-dimethyl-7H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[5-(2-ethoxy-2-oxoethyl)-8,8-dimethyl-7H-naphthalen-2-yl]ethynyl]benzoate Traditional Name: 4-[2-[5-(2-ethoxy-2-keto-ethyl)-8,8-dimethyl-7H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester Formula: C27H28O4 MolecularWeight: 416.50882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CCC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)OCC)(C)C

Isomeric SMILES

CCOC(=O)CC1=CCC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)OCC)(C)C

InChI

InChI=1S/C27H28O4/c1-5-30-25(28)18-22-15-16-27(3,4)24-17-20(11-14-23(22)24)8-7-19-9-12-21(13-10-19)26(29)31-6-2/h9-15,17H,5-6,16,18H2,1-4H3