ethyl 1-cyclopropyl-6-fluoranyl-8-methyl-7-[3-[methyl-(phenylmethyl)amino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-6-fluoranyl-8-methyl-7-[3-[methyl-(phenylmethyl)amino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-8-methyl-7-[3-[methyl-(phenylmethyl)amino]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylate Traditional Name: 7-[3-[benzyl(methyl)amino]pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C28H32FN3O3 MolecularWeight: 477.570383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCC(C3)N(C)CC4=CC=CC=C4)C)C5CC5

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCC(C3)N(C)CC4=CC=CC=C4)C)C5CC5

InChI

InChI=1S/C28H32FN3O3/c1-4-35-28(34)23-17-32(20-10-11-20)25-18(2)26(24(29)14-22(25)27(23)33)31-13-12-21(16-31)30(3)15-19-8-6-5-7-9-19/h5-9,14,17,20-21H,4,10-13,15-16H2,1-3H3