2-azanyl-3-(3-fluorophenyl)propanoic acid; 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-3-(3-fluorophenyl)propanoic acid; 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 2-amino-3-(3-fluorophenyl)propanoic acid; 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 2-amino-3-(3-fluorophenyl)propanoic acid; 1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 2-amino-3-(3-fluorophenyl)propanoic acid; 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 2-amino-3-(3-fluorophenyl)propionic acid; 1-cyclopropyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C26H28F2N4O5 MolecularWeight: 514.521126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.C1=CC(=CC(=C1)F)CC(C(=O)O)N

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.C1=CC(=CC(=C1)F)CC(C(=O)O)N

InChI

InChI=1S/C17H18FN3O3.C9H10FNO2/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;10-7-3-1-2-6(4-7)5-8(11)9(12)13/h7-10,19H,1-6H2,(H,23,24);1-4,8H,5,11H2,(H,12,13)