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

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-[(2-methoxyphenyl)carbonylamino]propanoate Openeye Name: [2-(2,5-dimethyl-1-propyl-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-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate Traditional Name: 3-(o-anisoylamino)propionic 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)CCNC(=O)C2=CC=CC=C2OC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)CCNC(=O)C2=CC=CC=C2OC)C

InChI

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