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

Systemtic Name: [2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-[(2-methoxyphenyl)carbonylamino]propanoate Openeye Name: [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-[(2-methoxybenzoyl)amino]propanoate CAS Name: 3-[[(2-methoxyphenyl)-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-methoxybenzoyl)amino]propanoate Traditional Name: 3-(o-anisoylamino)propionic acid [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)CCNC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)CCNC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C22H28N2O5/c1-14(2)24-15(3)12-18(16(24)4)19(25)13-29-21(26)10-11-23-22(27)17-8-6-7-9-20(17)28-5/h6-9,12,14H,10-11,13H2,1-5H3,(H,23,27)