methyl 2-azanyl-4-(5-bromanyl-2-phenylmethoxy-phenyl)-7-(dimethylamino)-4H-chromene-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-(5-bromanyl-2-phenylmethoxy-phenyl)-7-(dimethylamino)-4H-chromene-3-carboxylate Openeye Name: methyl 2-amino-4-(2-benzyloxy-5-bromo-phenyl)-7-(dimethylamino)-4H-chromene-3-carboxylate CAS Name: 2-amino-4-(5-bromo-2-phenylmethoxyphenyl)-7-(dimethylamino)-4H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-(5-bromo-2-phenylmethoxyphenyl)-7-(dimethylamino)-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-(2-benzoxy-5-bromo-phenyl)-7-(dimethylamino)-4H-chromene-3-carboxylic acid methyl ester Formula: C26H25BrN2O4 MolecularWeight: 509.3917

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C(=O)OC)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C(=O)OC)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C26H25BrN2O4/c1-29(2)18-10-11-19-22(14-18)33-25(28)24(26(30)31-3)23(19)20-13-17(27)9-12-21(20)32-15-16-7-5-4-6-8-16/h4-14,23H,15,28H2,1-3H3