(phenylmethyl) 2-[[3,4-diethyl-5-[[4-methyl-3-(3-oxidanylpropyl)-1-phenylmethoxycarbonyl-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-3-(3-oxidanylpropyl)pyrrole-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[3,4-diethyl-5-[[4-methyl-3-(3-oxidanylpropyl)-1-phenylmethoxycarbonyl-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-3-(3-oxidanylpropyl)pyrrole-1-carboxylate Openeye Name: benzyl 2-[[5-[[1-benzyloxycarbonyl-3-(3-hydroxypropyl)-4-methyl-pyrrol-2-yl]methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-3-(3-hydroxypropyl)-4-methyl-pyrrole-1-carboxylate CAS Name: 2-[[3,4-diethyl-5-[[3-(3-hydroxypropyl)-4-methyl-1-phenylmethoxycarbonyl-2-pyrrolyl]methyl]-1H-pyrrol-2-yl]methyl]-3-(3-hydroxypropyl)-4-methyl-1-pyrrolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3,4-diethyl-5-[[3-(3-hydroxypropyl)-4-methyl-1-phenylmethoxycarbonylpyrrol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-3-(3-hydroxypropyl)-4-methylpyrrole-1-carboxylate Traditional Name: 2-[[5-[[1-carbobenzoxy-3-(3-hydroxypropyl)-4-methyl-pyrrol-2-yl]methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-3-(3-hydroxypropyl)-4-methyl-pyrrole-1-carboxylic acid benzyl ester Formula: C42H51N3O6 MolecularWeight: 693.87084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1CC)CC2=C(C(=CN2C(=O)OCC3=CC=CC=C3)C)CCCO)CC4=C(C(=CN4C(=O)OCC5=CC=CC=C5)C)CCCO

Isomeric SMILES

CCC1=C(NC(=C1CC)CC2=C(C(=CN2C(=O)OCC3=CC=CC=C3)C)CCCO)CC4=C(C(=CN4C(=O)OCC5=CC=CC=C5)C)CCCO

InChI

InChI=1S/C42H51N3O6/c1-5-33-34(6-2)38(24-40-36(20-14-22-47)30(4)26-45(40)42(49)51-28-32-17-11-8-12-18-32)43-37(33)23-39-35(19-13-21-46)29(3)25-44(39)41(48)50-27-31-15-9-7-10-16-31/h7-12,15-18,25-26,43,46-47H,5-6,13-14,19-24,27-28H2,1-4H3