3-[6,8-dimethyl-3-oxidanylidene-2-(phenylmethyl)-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 3-[6,8-dimethyl-3-oxidanylidene-2-(phenylmethyl)-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-(2-benzyl-6,8-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid CAS Name: 3-[6,8-dimethyl-3-oxo-2-(phenylmethyl)-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-(2-benzyl-6,8-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid Traditional Name: 3-(2-benzyl-3-keto-6,8-dimethyl-1,4-benzoxazin-4-yl)propionic acid Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=O)C(O2)CC3=CC=CC=C3)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=O)C(O2)CC3=CC=CC=C3)CCC(=O)O)C

InChI

InChI=1S/C20H21NO4/c1-13-10-14(2)19-16(11-13)21(9-8-18(22)23)20(24)17(25-19)12-15-6-4-3-5-7-15/h3-7,10-11,17H,8-9,12H2,1-2H3,(H,22,23)