1-[2-oxidanylidene-2-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-oxidanylidene-2-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]ethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]ethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-[(3-keto-4H-1,4-benzoxazin-6-yl)amino]ethyl]cycloheptanecarboxylic acid Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC3=C(C=C2)OCC(=O)N3)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC3=C(C=C2)OCC(=O)N3)C(=O)O

InChI

InChI=1S/C18H22N2O5/c21-15(10-18(17(23)24)7-3-1-2-4-8-18)19-12-5-6-14-13(9-12)20-16(22)11-25-14/h5-6,9H,1-4,7-8,10-11H2,(H,19,21)(H,20,22)(H,23,24)