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

Systemtic Name: ethyl 4-[2-methyl-8-[[methyl(phenethyl)amino]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-2-methyl-8-[[methyl(phenethyl)amino]methyl]-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-2-methyl-8-[[methyl(phenethyl)amino]methyl]-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-2-methyl-8-[[methyl(phenethyl)amino]methyl]-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-2-methyl-8-[[methyl(phenethyl)amino]methyl]chromen-3-yl]oxybenzoic acid ethyl ester Formula: C29H29NO6 MolecularWeight: 487.54366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN(C)CCC4=CC=CC=C4)O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN(C)CCC4=CC=CC=C4)O)C

InChI

InChI=1S/C29H29NO6/c1-4-34-29(33)21-10-12-22(13-11-21)36-27-19(2)35-28-23(26(27)32)14-15-25(31)24(28)18-30(3)17-16-20-8-6-5-7-9-20/h5-15,31H,4,16-18H2,1-3H3