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

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-phenoxypropanoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] (2S)-2-phenoxypropanoate CAS Name: (2S)-2-phenoxypropanoic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] (2S)-2-phenoxypropanoate Traditional Name: (2S)-2-phenoxypropionic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C(C)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)[C@H](C)OC3=CC=CC=C3

InChI

InChI=1S/C20H23NO4/c1-13-11-18(14(2)21(13)16-9-10-16)19(22)12-24-20(23)15(3)25-17-7-5-4-6-8-17/h4-8,11,15-16H,9-10,12H2,1-3H3/t15-/m0/s1