[(2R)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-methoxy-benzoate

Systemtic Name: [(2R)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-methoxy-benzoate Openeye Name: [(1R)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-methyl-2-oxo-ethyl] 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic acid [(2R)-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid [(1R)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C)OC

InChI

InChI=1S/C25H27NO5/c1-6-30-22-13-12-19(15-23(22)29-5)25(28)31-18(4)24(27)21-14-16(2)26(17(21)3)20-10-8-7-9-11-20/h7-15,18H,6H2,1-5H3/t18-/m1/s1