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

Systemtic Name: tert-butyl 5-[[3-(3-ethoxy-3-oxidanylidene-propyl)-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-(3-ethoxy-3-oxo-propyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-ethyl-4-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-[[3-(3-ethoxy-3-oxopropyl)-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-(3-ethoxy-3-oxopropyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]methyl]-3-ethyl-4-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[[5-carbobenzoxy-3-(3-ethoxy-3-keto-propyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C31H40N2O6 MolecularWeight: 536.6591

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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)CCC(=O)OCC)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H40N2O6/c1-8-22-19(3)24(32-28(22)30(36)39-31(5,6)7)17-25-23(15-16-26(34)37-9-2)20(4)27(33-25)29(35)38-18-21-13-11-10-12-14-21/h10-14,32-33H,8-9,15-18H2,1-7H3