[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C18H20BrN3O3 MolecularWeight: 406.2737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)C3=CC(=CN3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)C3=CC(=CN3)Br

InChI

InChI=1S/C18H20BrN3O3/c1-12-8-14(22-6-2-3-7-22)4-5-15(12)21-17(23)11-25-18(24)16-9-13(19)10-20-16/h4-5,8-10,20H,2-3,6-7,11H2,1H3,(H,21,23)