7-[3-[2-acetamido-1-[2-cyanoethyl(ethyl)amino]ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-[2-acetamido-1-[2-cyanoethyl(ethyl)amino]ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[2-acetamido-1-[2-cyanoethyl(ethyl)amino]ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[2-acetamido-1-[2-cyanoethyl(ethyl)amino]ethyl]-1-pyrrolidinyl]-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[2-acetamido-1-[2-cyanoethyl(ethyl)amino]ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[2-acetamido-1-[2-cyanoethyl(ethyl)amino]ethyl]pyrrolidino]-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C27H35N5O5 MolecularWeight: 509.5973

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C(CNC(=O)C)C1CCN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC

Isomeric SMILES

CCN(CCC#N)C(CNC(=O)C)C1CCN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC

InChI

InChI=1S/C27H35N5O5/c1-4-30(12-5-11-28)23(14-29-17(2)33)18-10-13-31(15-18)22-9-8-20-24(26(22)37-3)32(19-6-7-19)16-21(25(20)34)27(35)36/h8-9,16,18-19,23H,4-7,10,12-15H2,1-3H3,(H,29,33)(H,35,36)