[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-keto-2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C(C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)[C@H](C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5/c1-14-12-18(16(3)23(14)10-11-27-4)19(24)13-28-21(26)15(2)22-20(25)17-8-6-5-7-9-17/h5-9,12,15H,10-11,13H2,1-4H3,(H,22,25)/t15-/m0/s1