1-[(6-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)carbonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(6-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)carbonyl]piperidine-4-carboxylic acid Openeye Name: 1-(6-chloro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(6-chloro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(6-chloro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)isonipecotic acid Formula: C15H17ClN2O4 MolecularWeight: 324.75948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)N2CCOC3=C2C=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)N2CCOC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C15H17ClN2O4/c16-11-1-2-13-12(9-11)18(7-8-22-13)15(21)17-5-3-10(4-6-17)14(19)20/h1-2,9-10H,3-8H2,(H,19,20)