ethyl 5-[3-[(5-bromanyl-2-methoxy-phenyl)methylamino]-3-oxidanylidene-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[3-[(5-bromanyl-2-methoxy-phenyl)methylamino]-3-oxidanylidene-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[3-[(5-bromo-2-methoxy-phenyl)methylamino]-3-oxo-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[3-[(5-bromo-2-methoxyphenyl)methylamino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-[(5-bromo-2-methoxyphenyl)methylamino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[3-[(5-bromo-2-methoxy-benzyl)amino]-3-keto-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H25BrN2O4 MolecularWeight: 437.3275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)CCC(=O)NCC2=C(C=CC(=C2)Br)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)CCC(=O)NCC2=C(C=CC(=C2)Br)OC)C

InChI

InChI=1S/C20H25BrN2O4/c1-5-27-20(25)19-12(2)16(23-13(19)3)7-9-18(24)22-11-14-10-15(21)6-8-17(14)26-4/h6,8,10,23H,5,7,9,11H2,1-4H3,(H,22,24)