ethyl 2-azanyl-4-[5-[(2-bromanylphenoxy)methyl]-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-[5-[(2-bromanylphenoxy)methyl]-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C29H32BrNO5 MolecularWeight: 554.47208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3C)C)COC4=CC=CC=C4Br)C(=O)CC(C2)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3C)C)COC4=CC=CC=C4Br)C(=O)CC(C2)(C)C)N

InChI

InChI=1S/C29H32BrNO5/c1-6-34-28(33)26-24(25-21(32)13-29(4,5)14-23(25)36-27(26)31)19-12-18(16(2)11-17(19)3)15-35-22-10-8-7-9-20(22)30/h7-12,24H,6,13-15,31H2,1-5H3