octyl 4-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]benzoate

Systemtic Name: octyl 4-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]benzoate Openeye Name: octyl 4-[7-(diethylamino)-2-oxo-chromen-3-yl]benzoate CAS Name: 4-[7-(diethylamino)-2-oxo-1-benzopyran-3-yl]benzoic acid octyl ester IUPAC Name: octyl 4-[7-(diethylamino)-2-oxochromen-3-yl]benzoate Traditional Name: 4-[7-(diethylamino)-2-keto-chromen-3-yl]benzoic acid octyl ester Formula: C28H35NO4 MolecularWeight: 449.5818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)N(CC)CC)OC2=O

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)N(CC)CC)OC2=O

InChI

InChI=1S/C28H35NO4/c1-4-7-8-9-10-11-18-32-27(30)22-14-12-21(13-15-22)25-19-23-16-17-24(29(5-2)6-3)20-26(23)33-28(25)31/h12-17,19-20H,4-11,18H2,1-3H3