(phenylmethyl) 3-[[4-ethyl-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[[4-ethyl-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate Openeye Name: benzyl 3-[(5-tert-butoxycarbonyl-4-ethyl-3-methyl-1H-pyrrol-2-yl)methyl]-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate CAS Name: 3-[[4-ethyl-3-methyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-1H-pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[4-ethyl-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate Traditional Name: 3-[(5-tert-butoxycarbonyl-4-ethyl-3-methyl-1H-pyrrol-2-yl)methyl]-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid benzyl ester Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)CC2=C3CCCCC3=C(N2)C(=O)OCC4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C)CC2=C3CCCCC3=C(N2)C(=O)OCC4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H36N2O4/c1-6-20-18(2)23(30-25(20)28(33)35-29(3,4)5)16-24-21-14-10-11-15-22(21)26(31-24)27(32)34-17-19-12-8-7-9-13-19/h7-9,12-13,30-31H,6,10-11,14-17H2,1-5H3