methyl 2-[(1Z)-1-pent-4-enylideneisochromen-3-yl]benzoate

Systemtic Name: methyl 2-[(1Z)-1-pent-4-enylideneisochromen-3-yl]benzoate Openeye Name: methyl 2-[(1Z)-1-pent-4-enylideneisochromen-3-yl]benzoate CAS Name: 2-[(1Z)-1-pent-4-enylidene-2-benzopyran-3-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[(1Z)-1-pent-4-enylideneisochromen-3-yl]benzoate Traditional Name: 2-[(1Z)-1-pent-4-enylideneisochromen-3-yl]benzoic acid methyl ester Formula: C22H20O3 MolecularWeight: 332.3924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC3=CC=CC=C3C(=CCCC=C)O2

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC3=CC=CC=C3/C(=C/CCC=C)/O2

InChI

InChI=1S/C22H20O3/c1-3-4-5-14-20-17-11-7-6-10-16(17)15-21(25-20)18-12-8-9-13-19(18)22(23)24-2/h3,6-15H,1,4-5H2,2H3/b20-14-