3-oxidanylidene-4-[(2-phenoxyquinolin-6-yl)methyl]piperazine-1-carboxylic acid

Systemtic Name: 3-oxidanylidene-4-[(2-phenoxyquinolin-6-yl)methyl]piperazine-1-carboxylic acid Openeye Name: 3-oxo-4-[(2-phenoxy-6-quinolyl)methyl]piperazine-1-carboxylic acid CAS Name: 3-oxo-4-[(2-phenoxy-6-quinolinyl)methyl]-1-piperazinecarboxylic acid IUPAC Name: 3-oxo-4-[(2-phenoxyquinolin-6-yl)methyl]piperazine-1-carboxylic acid Traditional Name: 3-keto-4-[(2-phenoxy-6-quinolyl)methyl]piperazine-1-carboxylic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=O)O)CC2=CC3=C(C=C2)N=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(C(=O)CN1C(=O)O)CC2=CC3=C(C=C2)N=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O4/c25-20-14-24(21(26)27)11-10-23(20)13-15-6-8-18-16(12-15)7-9-19(22-18)28-17-4-2-1-3-5-17/h1-9,12H,10-11,13-14H2,(H,26,27)