[2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate Openeye Name: [2-(3-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [2-[3-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [2-keto-2-(3-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C18H19BrN2O4 MolecularWeight: 407.25846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC=C(O2)Br)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC=C(O2)Br)N3CCCC3

InChI

InChI=1S/C18H19BrN2O4/c1-12-10-13(4-5-14(12)21-8-2-3-9-21)20-17(22)11-24-18(23)15-6-7-16(19)25-15/h4-7,10H,2-3,8-9,11H2,1H3,(H,20,22)