7-[(3S,4R)-3-azanyl-4-ethyl-piperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3S,4R)-3-azanyl-4-ethyl-piperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S,4R)-3-amino-4-ethyl-1-piperidyl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3S,4R)-3-amino-4-ethyl-1-piperidinyl]-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S,4R)-3-amino-4-ethylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S,4R)-3-amino-4-ethyl-piperidino]-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC1N)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC

Isomeric SMILES

CC[C@@H]1CCN(C[C@H]1N)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC

InChI

InChI=1S/C21H27N3O4/c1-3-12-8-9-23(11-16(12)22)17-7-6-14-18(20(17)28-2)24(13-4-5-13)10-15(19(14)25)21(26)27/h6-7,10,12-13,16H,3-5,8-9,11,22H2,1-2H3,(H,26,27)/t12-,16-/m1/s1