5-azanyl-1-cyclopropyl-8-methyl-7-[3-[methylamino(1,3-oxazol-2-yl)methyl]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-8-methyl-7-[3-[methylamino(1,3-oxazol-2-yl)methyl]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-8-methyl-7-[3-[methylamino(oxazol-2-yl)methyl]pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-8-methyl-7-[3-[methylamino(2-oxazolyl)methyl]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-8-methyl-7-[3-[methylamino(1,3-oxazol-2-yl)methyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-4-keto-8-methyl-7-[3-[methylamino(oxazol-2-yl)methyl]pyrrolidino]quinoline-3-carboxylic acid Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1N3CCC(C3)C(C4=NC=CO4)NC)N)C(=O)C(=CN2C5CC5)C(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1N3CCC(C3)C(C4=NC=CO4)NC)N)C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C23H27N5O4/c1-12-17(27-7-5-13(10-27)19(25-2)22-26-6-8-32-22)9-16(24)18-20(12)28(14-3-4-14)11-15(21(18)29)23(30)31/h6,8-9,11,13-14,19,25H,3-5,7,10,24H2,1-2H3,(H,30,31)