methyl 2-azanyl-4-[5-bromanyl-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-[5-bromanyl-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: methyl 2-amino-4-[5-bromo-2-[2-(3-methylanilino)-2-oxo-ethoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-4-[5-bromo-2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-[5-bromo-2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-[5-bromo-2-[2-keto-2-(m-toluidino)ethoxy]phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid methyl ester Formula: C28H29BrN2O6 MolecularWeight: 569.44366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)Br)C3C4=C(CC(CC4=O)(C)C)OC(=C3C(=O)OC)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)Br)C3C4=C(CC(CC4=O)(C)C)OC(=C3C(=O)OC)N

InChI

InChI=1S/C28H29BrN2O6/c1-15-6-5-7-17(10-15)31-22(33)14-36-20-9-8-16(29)11-18(20)23-24-19(32)12-28(2,3)13-21(24)37-26(30)25(23)27(34)35-4/h5-11,23H,12-14,30H2,1-4H3,(H,31,33)