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

Systemtic Name: ethyl (4S)-2-azanyl-4-[5-[(4-bromanylphenoxy)methyl]furan-2-yl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-[5-[(4-bromophenoxy)methyl]-2-furyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: (4S)-2-amino-4-[5-[(4-bromophenoxy)methyl]-2-furanyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: (4S)-2-amino-4-[5-[(4-bromophenoxy)methyl]-2-furyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C25H26BrNO6 MolecularWeight: 516.38104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC=C(O3)COC4=CC=C(C=C4)Br)C(=O)CC(C2)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C([C@@H]1C3=CC=C(O3)COC4=CC=C(C=C4)Br)C(=O)CC(C2)(C)C)N

InChI

InChI=1S/C25H26BrNO6/c1-4-30-24(29)22-21(20-17(28)11-25(2,3)12-19(20)33-23(22)27)18-10-9-16(32-18)13-31-15-7-5-14(26)6-8-15/h5-10,21H,4,11-13,27H2,1-3H3/t21-/m0/s1