ethyl 2-azanyl-4-[3-[(2-bromanylphenoxy)methyl]-4-methoxy-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-[3-[(2-bromanylphenoxy)methyl]-4-methoxy-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl 2-amino-4-[3-[(2-bromophenoxy)methyl]-4-methoxy-phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-4-methoxy-phenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C26H26BrNO6 MolecularWeight: 528.39174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)OC)COC4=CC=CC=C4Br)C(=O)CCC2)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)OC)COC4=CC=CC=C4Br)C(=O)CCC2)N

InChI

InChI=1S/C26H26BrNO6/c1-3-32-26(30)24-22(23-18(29)8-6-10-21(23)34-25(24)28)15-11-12-19(31-2)16(13-15)14-33-20-9-5-4-7-17(20)27/h4-5,7,9,11-13,22H,3,6,8,10,14,28H2,1-2H3