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

Systemtic Name: tert-butyl 5-[[3-(2-chloroethyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]methyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-[[5-benzyloxycarbonyl-3-(2-chloroethyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-(3-methoxy-3-oxo-propyl)-4-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-[[3-(2-chloroethyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-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-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[[5-carbobenzoxy-3-(2-chloroethyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C30H37ClN2O6 MolecularWeight: 557.07758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)OC)C(=O)OC(C)(C)C)CC2=C(C(=C(N2)C(=O)OCC3=CC=CC=C3)C)CCCl

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)OC)C(=O)OC(C)(C)C)CC2=C(C(=C(N2)C(=O)OCC3=CC=CC=C3)C)CCCl

InChI

InChI=1S/C30H37ClN2O6/c1-18-22(12-13-25(34)37-6)27(29(36)39-30(3,4)5)32-23(18)16-24-21(14-15-31)19(2)26(33-24)28(35)38-17-20-10-8-7-9-11-20/h7-11,32-33H,12-17H2,1-6H3