(phenylmethyl) 4-ethyl-5-[[3-[(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]azulen-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]azulen-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]azulen-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]-1-azulenyl]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]azulen-1-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[[3-[(5-carbobenzoxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]azulen-1-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C42H42N2O4 MolecularWeight: 638.79388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)CC3=CC(=C4C3=CC=CC=C4)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=CC(=C4C3=CC=CC=C4)CC5=C(C(=C(N5)C(=O)OCC6=CC=CC=C6)C)CC

InChI

InChI=1S/C42H42N2O4/c1-5-33-27(3)39(41(45)47-25-29-16-10-7-11-17-29)43-37(33)23-31-22-32(36-21-15-9-14-20-35(31)36)24-38-34(6-2)28(4)40(44-38)42(46)48-26-30-18-12-8-13-19-30/h7-22,43-44H,5-6,23-26H2,1-4H3