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

Systemtic Name: 3-[[4-ethyl-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid Openeye Name: 3-[(5-tert-butoxycarbonyl-4-ethyl-3-methyl-1H-pyrrol-2-yl)methyl]-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid 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 IUPAC Name: 3-[[4-ethyl-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid 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 Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4/c1-6-13-12(2)16(23-19(13)21(27)28-22(3,4)5)11-17-14-9-7-8-10-15(14)18(24-17)20(25)26/h23-24H,6-11H2,1-5H3,(H,25,26)