1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-methoxy-4-[(phenylmethyl)amino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-methoxy-4-[(phenylmethyl)amino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(benzylamino)-4-methoxy-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methoxy-4-[(phenylmethyl)amino]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(benzylamino)-4-methoxypyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(benzylamino)-4-methoxy-pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C26H28FN3O5 MolecularWeight: 481.516023

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC1NCC2=CC=CC=C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

COC1CN(CC1NCC2=CC=CC=C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C26H28FN3O5/c1-34-21-14-29(13-20(21)28-11-15-6-4-3-5-7-15)23-19(27)10-17-22(25(23)35-2)30(16-8-9-16)12-18(24(17)31)26(32)33/h3-7,10,12,16,20-21,28H,8-9,11,13-14H2,1-2H3,(H,32,33)