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

Systemtic Name: 1-[(6-chloranyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)carbonyl]piperidine-4-carboxylic acid Openeye Name: 1-(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)isonipecotic acid Formula: C16H19ClN2O4 MolecularWeight: 338.78606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=C(O1)C=CC(=C2)Cl)C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1CN(C2=C(O1)C=CC(=C2)Cl)C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C16H19ClN2O4/c1-10-9-19(13-8-12(17)2-3-14(13)23-10)16(22)18-6-4-11(5-7-18)15(20)21/h2-3,8,10-11H,4-7,9H2,1H3,(H,20,21)