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

Systemtic Name: 1-[(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)carbonyl]piperidine-4-carboxylic acid Openeye Name: 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)isonipecotic acid Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)C)C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1CN(C2=C(O1)C=CC(=C2)C)C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H24N2O4/c1-3-14-11-20(15-10-12(2)4-5-16(15)24-14)18(23)19-8-6-13(7-9-19)17(21)22/h4-5,10,13-14H,3,6-9,11H2,1-2H3,(H,21,22)