methyl 4-[bis(3-ethyl-5-methanoyl-4-methyl-1H-pyrrol-2-yl)methyl]benzoate

Systemtic Name: methyl 4-[bis(3-ethyl-5-methanoyl-4-methyl-1H-pyrrol-2-yl)methyl]benzoate Openeye Name: methyl 4-[bis(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]benzoate CAS Name: 4-[bis(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[bis(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]benzoate Traditional Name: 4-[bis(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]benzoic acid methyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C=O)C(C2=CC=C(C=C2)C(=O)OC)C3=C(C(=C(N3)C=O)C)CC

Isomeric SMILES

CCC1=C(NC(=C1C)C=O)C(C2=CC=C(C=C2)C(=O)OC)C3=C(C(=C(N3)C=O)C)CC

InChI

InChI=1S/C25H28N2O4/c1-6-18-14(3)20(12-28)26-23(18)22(16-8-10-17(11-9-16)25(30)31-5)24-19(7-2)15(4)21(13-29)27-24/h8-13,22,26-27H,6-7H2,1-5H3