4-[(8-azanyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[(8-azanyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[(8-amino-3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]cyclohexanecarboxylic acid CAS Name: 4-[(8-amino-3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[(8-amino-3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-[(8-amino-3-keto-4H-1,4-benzoxazin-6-yl)methylamino]cyclohexanecarboxylic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NCC2=CC3=C(C(=C2)N)OCC(=O)N3

Isomeric SMILES

C1CC(CCC1C(=O)O)NCC2=CC3=C(C(=C2)N)OCC(=O)N3

InChI

InChI=1S/C16H21N3O4/c17-12-5-9(6-13-15(12)23-8-14(20)19-13)7-18-11-3-1-10(2-4-11)16(21)22/h5-6,10-11,18H,1-4,7-8,17H2,(H,19,20)(H,21,22)