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

Systemtic Name: 7-[3-[2-acetamido-1-[2-cyanoethyl(methyl)amino]ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[2-acetamido-1-[2-cyanoethyl(methyl)amino]ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[2-acetamido-1-[2-cyanoethyl(methyl)amino]ethyl]-1-pyrrolidinyl]-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[2-acetamido-1-[2-cyanoethyl(methyl)amino]ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[2-acetamido-1-[2-cyanoethyl(methyl)amino]ethyl]pyrrolidino]-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C26H33N5O5 MolecularWeight: 495.57072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(C1CCN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC)N(C)CCC#N

Isomeric SMILES

CC(=O)NCC(C1CCN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC)N(C)CCC#N

InChI

InChI=1S/C26H33N5O5/c1-16(32)28-13-22(29(2)11-4-10-27)17-9-12-30(14-17)21-8-7-19-23(25(21)36-3)31(18-5-6-18)15-20(24(19)33)26(34)35/h7-8,15,17-18,22H,4-6,9,11-14H2,1-3H3,(H,28,32)(H,34,35)