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

Systemtic Name: 1-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)carbonyl]piperidine-4-carboxylic acid Openeye Name: 1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(2,6-dimethyl-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:

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

Isomeric SMILES

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

InChI

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