[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-ethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-ethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[(4-ethoxybenzoyl)amino]acetate CAS Name: 2-[[(4-ethoxyphenyl)-oxomethyl]amino]acetic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate Traditional Name: 2-[(4-ethoxybenzoyl)amino]acetic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)OCC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)OCC)C

InChI

InChI=1S/C22H28N2O5/c1-5-11-24-15(3)12-19(16(24)4)20(25)14-29-21(26)13-23-22(27)17-7-9-18(10-8-17)28-6-2/h7-10,12H,5-6,11,13-14H2,1-4H3,(H,23,27)