[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: [2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]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-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)C2=C(N(C(=C2)C)C(C)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)C2=C(N(C(=C2)C)C(C)C)C

InChI

InChI=1S/C22H28N2O4/c1-14(2)24-16(4)12-19(17(24)5)20(25)13-28-21(26)10-11-23-22(27)18-9-7-6-8-15(18)3/h6-9,12,14H,10-11,13H2,1-5H3,(H,23,27)