(phenylmethyl) 4-ethyl-5-[[3-[(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-4,5,6,7-tetrahydro-2H-isoindol-1-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-ethyl-5-[[3-[(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-4,5,6,7-tetrahydro-2H-isoindol-1-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-[[3-[(5-benzyloxycarbonyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-4,5,6,7-tetrahydro-2H-isoindol-1-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-ethyl-5-[[3-[(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-4,5,6,7-tetrahydro-2H-isoindol-1-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-ethyl-5-[[3-[(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-4,5,6,7-tetrahydro-2H-isoindol-1-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[[3-[(5-carbobenzoxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-4,5,6,7-tetrahydro-2H-isoindol-1-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C40H45N3O4 MolecularWeight: 631.803

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)CC3=C4CCCCC4=C(N3)CC5=C(C(=C(N5)C(=O)OCC6=CC=CC=C6)C)CC

Isomeric SMILES

CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)CC3=C4CCCCC4=C(N3)CC5=C(C(=C(N5)C(=O)OCC6=CC=CC=C6)C)CC

InChI

InChI=1S/C40H45N3O4/c1-5-29-25(3)37(39(44)46-23-27-15-9-7-10-16-27)42-33(29)21-35-31-19-13-14-20-32(31)36(41-35)22-34-30(6-2)26(4)38(43-34)40(45)47-24-28-17-11-8-12-18-28/h7-12,15-18,41-43H,5-6,13-14,19-24H2,1-4H3