2-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]propanoic acid

Systemtic Name: 2-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]propanoic acid Openeye Name: 2-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]propanoic acid CAS Name: 2-[[[4-(2-amino-7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]propanoic acid Traditional Name: 2-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]propionic acid Formula: C17H20ClN5O3 MolecularWeight: 377.8254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)N1CCN(CC1)C2=CC(=NC3=C2C=CC(=C3)Cl)N

Isomeric SMILES

CC(C(=O)O)NC(=O)N1CCN(CC1)C2=CC(=NC3=C2C=CC(=C3)Cl)N

InChI

InChI=1S/C17H20ClN5O3/c1-10(16(24)25)20-17(26)23-6-4-22(5-7-23)14-9-15(19)21-13-8-11(18)2-3-12(13)14/h2-3,8-10H,4-7H2,1H3,(H2,19,21)(H,20,26)(H,24,25)