[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-acetamidopropanoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-acetamidopropanoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic 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-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CCNC(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CCNC(=O)C

InChI

InChI=1S/C16H22N2O4/c1-10-8-14(11(2)18(10)13-4-5-13)15(20)9-22-16(21)6-7-17-12(3)19/h8,13H,4-7,9H2,1-3H3,(H,17,19)