methyl 2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-4,7-dihydropyrano[2,3-e]indole-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-4,7-dihydropyrano[2,3-e]indole-3-carboxylate Openeye Name: methyl 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-4,7-dihydropyrano[2,3-e]indole-3-carboxylate CAS Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-4,7-dihydropyrano[2,3-e]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-4,7-dihydropyrano[2,3-e]indole-3-carboxylate Traditional Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-4,7-dihydropyran[2,3-e]indole-3-carboxylic acid methyl ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3=C(C4=C(C=C3)NC=C4)OC(=C2C(=O)OC)N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3=C(C4=C(C=C3)NC=C4)OC(=C2C(=O)OC)N)Br)OC

InChI

InChI=1S/C21H19BrN2O5/c1-26-15-9-10(8-13(22)19(15)27-2)16-12-4-5-14-11(6-7-24-14)18(12)29-20(23)17(16)21(25)28-3/h4-9,16,24H,23H2,1-3H3