[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: [2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid [2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propionic acid [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC(=O)C3=C(N(C(=C3)C)C(C)C)C

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC(=O)C3=C(N(C(=C3)C)C(C)C)C

InChI

InChI=1S/C23H28N2O5/c1-14(2)25-15(3)12-18(16(25)4)20(26)13-29-22(27)10-11-24-19-8-6-7-9-21(19)30-17(5)23(24)28/h6-9,12,14,17H,10-11,13H2,1-5H3