[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate CAS Name: 3-acetamido-3-(4-methoxyphenyl)propanoic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Traditional Name: 3-acetamido-3-(4-methoxyphenyl)propionic acid [2-(1-cyclopropyl-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:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CC(C3=CC=C(C=C3)OC)NC(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CC(C3=CC=C(C=C3)OC)NC(=O)C

InChI

InChI=1S/C23H28N2O5/c1-14-11-20(15(2)25(14)18-7-8-18)22(27)13-30-23(28)12-21(24-16(3)26)17-5-9-19(29-4)10-6-17/h5-6,9-11,18,21H,7-8,12-13H2,1-4H3,(H,24,26)