methyl 2-azanyl-4-[5-[(4-bromanylphenoxy)methyl]furan-2-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-[5-[(4-bromanylphenoxy)methyl]furan-2-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: methyl 2-amino-4-[5-[(4-bromophenoxy)methyl]-2-furyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-[5-[(4-bromophenoxy)methyl]-2-furanyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-4-[5-[(4-bromophenoxy)methyl]-2-furyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid methyl ester Formula: C22H20BrNO6 MolecularWeight: 474.3013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC2=C(C1C3=CC=C(O3)COC4=CC=C(C=C4)Br)C(=O)CCC2)N

Isomeric SMILES

COC(=O)C1=C(OC2=C(C1C3=CC=C(O3)COC4=CC=C(C=C4)Br)C(=O)CCC2)N

InChI

InChI=1S/C22H20BrNO6/c1-27-22(26)20-19(18-15(25)3-2-4-16(18)30-21(20)24)17-10-9-14(29-17)11-28-13-7-5-12(23)6-8-13/h5-10,19H,2-4,11,24H2,1H3