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

Systemtic Name: ethyl 2-azanyl-4-[3-[(3-bromanylphenoxy)methyl]-4-methoxy-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl 2-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxy-phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-[3-[(3-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-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-4-[3-[(3-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=C4)Br)C(=O)CCC2)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)OC)COC4=CC(=CC=C4)Br)C(=O)CCC2)N

InChI

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