2-[2-[(6-azanyl-7-chloranyl-2-oxidanylidene-3-thiophen-2-yl-1H-quinolin-4-yl)oxy]ethyl]piperidine-1-carboxylic acid

Systemtic Name: 2-[2-[(6-azanyl-7-chloranyl-2-oxidanylidene-3-thiophen-2-yl-1H-quinolin-4-yl)oxy]ethyl]piperidine-1-carboxylic acid Openeye Name: 2-[2-[[6-amino-7-chloro-2-oxo-3-(2-thienyl)-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylic acid CAS Name: 2-[2-[(6-amino-7-chloro-2-oxo-3-thiophen-2-yl-1H-quinolin-4-yl)oxy]ethyl]-1-piperidinecarboxylic acid IUPAC Name: 2-[2-[(6-amino-7-chloro-2-oxo-3-thiophen-2-yl-1H-quinolin-4-yl)oxy]ethyl]piperidine-1-carboxylic acid Traditional Name: 2-[2-[[6-amino-7-chloro-2-keto-3-(2-thienyl)-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylic acid Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCOC2=C(C(=O)NC3=CC(=C(C=C32)N)Cl)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CCN(C(C1)CCOC2=C(C(=O)NC3=CC(=C(C=C32)N)Cl)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C21H22ClN3O4S/c22-14-11-16-13(10-15(14)23)19(18(20(26)24-16)17-5-3-9-30-17)29-8-6-12-4-1-2-7-25(12)21(27)28/h3,5,9-12H,1-2,4,6-8,23H2,(H,24,26)(H,27,28)