methyl 4-[bis(3,4-dimethyl-1H-pyrrol-2-yl)methyl]benzoate

Systemtic Name: methyl 4-[bis(3,4-dimethyl-1H-pyrrol-2-yl)methyl]benzoate Openeye Name: methyl 4-[bis(3,4-dimethyl-1H-pyrrol-2-yl)methyl]benzoate CAS Name: 4-[bis(3,4-dimethyl-1H-pyrrol-2-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[bis(3,4-dimethyl-1H-pyrrol-2-yl)methyl]benzoate Traditional Name: 4-[bis(3,4-dimethyl-1H-pyrrol-2-yl)methyl]benzoic acid methyl ester Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=C1C)C(C2=CC=C(C=C2)C(=O)OC)C3=C(C(=CN3)C)C

Isomeric SMILES

CC1=CNC(=C1C)C(C2=CC=C(C=C2)C(=O)OC)C3=C(C(=CN3)C)C

InChI

InChI=1S/C21H24N2O2/c1-12-10-22-19(14(12)3)18(20-15(4)13(2)11-23-20)16-6-8-17(9-7-16)21(24)25-5/h6-11,18,22-23H,1-5H3