ethyl 4-[2-[8-(furan-2-yl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[8-(furan-2-yl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[8-(2-furyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoate CAS Name: 4-[2-[8-(2-furanyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[8-(furan-2-yl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoate Traditional Name: 4-[2-[8-(2-furyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester Formula: C27H24O3 MolecularWeight: 396.47766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3C4=CC=CO4)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3C4=CC=CO4)(C)C

InChI

InChI=1S/C27H24O3/c1-4-29-26(28)21-12-9-19(10-13-21)7-8-20-11-14-24-23(18-20)22(15-16-27(24,2)3)25-6-5-17-30-25/h5-6,9-15,17-18H,4,16H2,1-3H3