4-[(2,2-dimethyl-3-oxidanylidene-4-propyl-1,4-benzoxazin-6-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2,2-dimethyl-3-oxidanylidene-4-propyl-1,4-benzoxazin-6-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2,2-dimethyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(2,2-dimethyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(2,2-dimethyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl)amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(3-keto-2,2-dimethyl-4-propyl-1,4-benzoxazin-6-yl)amino]butyric acid Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)NC(=O)CCC(=O)O)OC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)NC(=O)CCC(=O)O)OC(C1=O)(C)C

InChI

InChI=1S/C17H22N2O5/c1-4-9-19-12-10-11(18-14(20)7-8-15(21)22)5-6-13(12)24-17(2,3)16(19)23/h5-6,10H,4,7-9H2,1-3H3,(H,18,20)(H,21,22)