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

Systemtic Name: tert-butyl 5-[[3-(2-chloroethyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]methyl]-3-ethyl-4-methyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-[[5-benzyloxycarbonyl-3-(2-chloroethyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-ethyl-4-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-[[3-(2-chloroethyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]methyl]-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[3-(2-chloroethyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]methyl]-3-ethyl-4-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[[5-carbobenzoxy-3-(2-chloroethyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C28H35ClN2O4 MolecularWeight: 499.0415

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)CC2=C(C(=C(N2)C(=O)OCC3=CC=CC=C3)C)CCCl)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C)CC2=C(C(=C(N2)C(=O)OCC3=CC=CC=C3)C)CCCl)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H35ClN2O4/c1-7-20-17(2)22(30-25(20)27(33)35-28(4,5)6)15-23-21(13-14-29)18(3)24(31-23)26(32)34-16-19-11-9-8-10-12-19/h8-12,30-31H,7,13-16H2,1-6H3