[(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl] 4-(methoxymethyl)benzoate

Systemtic Name: [(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl] 4-(methoxymethyl)benzoate Openeye Name: [(1S)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-methyl-2-oxo-ethyl] 4-(methoxymethyl)benzoate CAS Name: 4-(methoxymethyl)benzoic acid [(2S)-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate Traditional Name: 4-(methoxymethyl)benzoic acid [(1S)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)OC(=O)C3=CC=C(C=C3)COC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)[C@H](C)OC(=O)C3=CC=C(C=C3)COC

InChI

InChI=1S/C24H25NO4/c1-16-14-22(17(2)25(16)21-8-6-5-7-9-21)23(26)18(3)29-24(27)20-12-10-19(11-13-20)15-28-4/h5-14,18H,15H2,1-4H3/t18-/m0/s1