ethyl 3-azanyl-4-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3-azanyl-4-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3-amino-4-[(2-bromo-3,4,5-trimethoxy-phenyl)methyl]-1H-pyrrole-2-carboxylate CAS Name: 3-amino-4-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-1H-pyrrole-2-carboxylate Traditional Name: 3-amino-4-(2-bromo-3,4,5-trimethoxy-benzyl)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C17H21BrN2O5 MolecularWeight: 413.26304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1)CC2=CC(=C(C(=C2Br)OC)OC)OC)N

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1)CC2=CC(=C(C(=C2Br)OC)OC)OC)N

InChI

InChI=1S/C17H21BrN2O5/c1-5-25-17(21)14-13(19)10(8-20-14)6-9-7-11(22-2)15(23-3)16(24-4)12(9)18/h7-8,20H,5-6,19H2,1-4H3