tert-butyl 3-[(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate

Systemtic Name: tert-butyl 3-[(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate Openeye Name: tert-butyl 3-[(5-benzyloxycarbonyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate CAS Name: 3-[(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate Traditional Name: 3-[(5-carbobenzoxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid tert-butyl ester Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)CC3=C4CCCCC4=C(N3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)CC3=C4CCCCC4=C(N3)C(=O)OC(C)(C)C

InChI

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