[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate

Systemtic Name: [2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)C1=C(N(C(=C1)C)CC2=CC=CC=C2)C)OC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)OCC(=O)C1=C(N(C(=C1)C)CC2=CC=CC=C2)C)OC3=CC=CC=C3

InChI

InChI=1S/C25H27NO4/c1-4-24(30-21-13-9-6-10-14-21)25(28)29-17-23(27)22-15-18(2)26(19(22)3)16-20-11-7-5-8-12-20/h5-15,24H,4,16-17H2,1-3H3/t24-/m1/s1