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

Systemtic Name: docosyl 4-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]benzoate Openeye Name: docosyl 4-[7-(diethylamino)-2-oxo-chromen-3-yl]benzoate CAS Name: 4-[7-(diethylamino)-2-oxo-1-benzopyran-3-yl]benzoic acid docosyl ester IUPAC Name: docosyl 4-[7-(diethylamino)-2-oxochromen-3-yl]benzoate Traditional Name: 4-[7-(diethylamino)-2-keto-chromen-3-yl]benzoic acid behenyl ester Formula: C42H63NO4 MolecularWeight: 645.95392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H63NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-32-46-41(44)36-28-26-35(27-29-36)39-33-37-30-31-38(43(5-2)6-3)34-40(37)47-42(39)45/h26-31,33-34H,4-25,32H2,1-3H3