(phenylmethyl) 5-[bis(5-cyano-4-ethyl-3-methyl-1H-pyrrol-2-yl)methyl]-3-ethyl-4-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-[bis(5-cyano-4-ethyl-3-methyl-1H-pyrrol-2-yl)methyl]-3-ethyl-4-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-[bis(5-cyano-4-ethyl-3-methyl-1H-pyrrol-2-yl)methyl]-3-ethyl-4-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-[bis(5-cyano-4-ethyl-3-methyl-1H-pyrrol-2-yl)methyl]-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[bis(5-cyano-4-ethyl-3-methyl-1H-pyrrol-2-yl)methyl]-3-ethyl-4-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[bis(5-cyano-4-ethyl-3-methyl-1H-pyrrol-2-yl)methyl]-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C32H35N5O2 MolecularWeight: 521.6526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C(C2=C(C(=C(N2)C#N)CC)C)C3=C(C(=C(N3)C(=O)OCC4=CC=CC=C4)CC)C)C#N

Isomeric SMILES

CCC1=C(NC(=C1C)C(C2=C(C(=C(N2)C#N)CC)C)C3=C(C(=C(N3)C(=O)OCC4=CC=CC=C4)CC)C)C#N

InChI

InChI=1S/C32H35N5O2/c1-7-22-18(4)28(35-25(22)15-33)27(29-19(5)23(8-2)26(16-34)36-29)30-20(6)24(9-3)31(37-30)32(38)39-17-21-13-11-10-12-14-21/h10-14,27,35-37H,7-9,17H2,1-6H3