ethyl 2-azanyl-4-(5-bromanyl-2-phenylmethoxy-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(5-bromanyl-2-phenylmethoxy-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl 2-amino-4-(2-benzyloxy-5-bromo-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-4-(5-bromo-2-phenylmethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(5-bromo-2-phenylmethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-(2-benzoxy-5-bromo-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C27H28BrNO5 MolecularWeight: 526.41892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C(=O)CC(C2)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C(=O)CC(C2)(C)C)N

InChI

InChI=1S/C27H28BrNO5/c1-4-32-26(31)24-22(23-19(30)13-27(2,3)14-21(23)34-25(24)29)18-12-17(28)10-11-20(18)33-15-16-8-6-5-7-9-16/h5-12,22H,4,13-15,29H2,1-3H3