methyl 4-[8-[[bis(2-methylpropyl)amino]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate

Systemtic Name: methyl 4-[8-[[bis(2-methylpropyl)amino]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: methyl 4-[8-[(diisobutylamino)methyl]-7-hydroxy-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-[[bis(2-methylpropyl)amino]methyl]-7-hydroxy-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[8-[[bis(2-methylpropyl)amino]methyl]-7-hydroxy-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-[(diisobutylamino)methyl]-7-hydroxy-4-keto-chromen-3-yl]oxybenzoic acid methyl ester Formula: C26H31NO6 MolecularWeight: 453.52744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=C(C=C3)C(=O)OC)O)CC(C)C

Isomeric SMILES

CC(C)CN(CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=C(C=C3)C(=O)OC)O)CC(C)C

InChI

InChI=1S/C26H31NO6/c1-16(2)12-27(13-17(3)4)14-21-22(28)11-10-20-24(29)23(15-32-25(20)21)33-19-8-6-18(7-9-19)26(30)31-5/h6-11,15-17,28H,12-14H2,1-5H3