[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-methyl-1,2-oxazole-5-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-methyl-1,2-oxazole-5-carboxylate Openeye Name: [2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxo-ethyl] 3-methylisoxazole-5-carboxylate CAS Name: 3-methyl-5-isoxazolecarboxylic acid [2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate Traditional Name: 3-methylisoxazole-5-carboxylic acid [2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC(=NO3)C

Isomeric SMILES

CC1=CC(=C(N1[C@H](C)C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC(=NO3)C

InChI

InChI=1S/C21H22N2O4/c1-13-10-20(27-22-13)21(25)26-12-19(24)18-11-14(2)23(16(18)4)15(3)17-8-6-5-7-9-17/h5-11,15H,12H2,1-4H3/t15-/m1/s1