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

Systemtic Name: (phenylmethyl) 5-[[3-(2-chloroethyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-[[5-benzyloxycarbonyl-3-(2-chloroethyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-[[3-(2-chloroethyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[[3-(2-chloroethyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[[5-carbobenzoxy-3-(2-chloroethyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C31H33ClN2O4 MolecularWeight: 533.05772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)CC3=C(C(=C(N3)C(=O)OCC4=CC=CC=C4)C)CCCl

Isomeric SMILES

CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)CC3=C(C(=C(N3)C(=O)OCC4=CC=CC=C4)C)CCCl

InChI

InChI=1S/C31H33ClN2O4/c1-4-24-20(2)28(30(35)37-18-22-11-7-5-8-12-22)33-26(24)17-27-25(15-16-32)21(3)29(34-27)31(36)38-19-23-13-9-6-10-14-23/h5-14,33-34H,4,15-19H2,1-3H3