methyl 3-azanyl-2-[(5-bromanyl-2-methoxy-3-phenyl-2,3-dihydro-1-benzofuran-6-yl)amino]benzoate

Systemtic Name: methyl 3-azanyl-2-[(5-bromanyl-2-methoxy-3-phenyl-2,3-dihydro-1-benzofuran-6-yl)amino]benzoate Openeye Name: methyl 3-amino-2-[(5-bromo-2-methoxy-3-phenyl-2,3-dihydrobenzofuran-6-yl)amino]benzoate CAS Name: 3-amino-2-[(5-bromo-2-methoxy-3-phenyl-2,3-dihydrobenzofuran-6-yl)amino]benzoic acid methyl ester IUPAC Name: methyl 3-amino-2-[(5-bromo-2-methoxy-3-phenyl-2,3-dihydro-1-benzofuran-6-yl)amino]benzoate Traditional Name: 3-amino-2-[(5-bromo-2-methoxy-3-phenyl-coumaran-6-yl)amino]benzoic acid methyl ester Formula: C23H21BrN2O4 MolecularWeight: 469.32784

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C2=CC(=C(C=C2O1)NC3=C(C=CC=C3N)C(=O)OC)Br)C4=CC=CC=C4

Isomeric SMILES

COC1C(C2=CC(=C(C=C2O1)NC3=C(C=CC=C3N)C(=O)OC)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H21BrN2O4/c1-28-22(27)14-9-6-10-17(25)21(14)26-18-12-19-15(11-16(18)24)20(23(29-2)30-19)13-7-4-3-5-8-13/h3-12,20,23,26H,25H2,1-2H3