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

Systemtic Name: 1-[(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)carbonyl]piperidine-4-carboxylic acid Openeye Name: 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)isonipecotic acid Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=CC=CC=C2O1)C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1CN(C2=CC=CC=C2O1)C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H22N2O4/c1-2-13-11-19(14-5-3-4-6-15(14)23-13)17(22)18-9-7-12(8-10-18)16(20)21/h3-6,12-13H,2,7-11H2,1H3,(H,20,21)