(phenylmethyl) 2-[[3-cyclohexyl-3-oxidanyl-2-(2-phenylmethoxyphenyl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoate

Systemtic Name: (phenylmethyl) 2-[[3-cyclohexyl-3-oxidanyl-2-(2-phenylmethoxyphenyl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoate Openeye Name: benzyl 2-[[2-(2-benzyloxyphenyl)-3-cyclohexyl-3-hydroxy-propanoyl]amino]-3-(1-methylindol-3-yl)propanoate CAS Name: 2-[[3-cyclohexyl-3-hydroxy-1-oxo-2-(2-phenylmethoxyphenyl)propyl]amino]-3-(1-methyl-3-indolyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-cyclohexyl-3-hydroxy-2-(2-phenylmethoxyphenyl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoate Traditional Name: 2-[[2-(2-benzoxyphenyl)-3-cyclohexyl-3-hydroxy-propanoyl]amino]-3-(1-methylindol-3-yl)propionic acid benzyl ester Formula: C41H44N2O5 MolecularWeight: 644.79846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC(C(=O)OCC3=CC=CC=C3)NC(=O)C(C4=CC=CC=C4OCC5=CC=CC=C5)C(C6CCCCC6)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC(C(=O)OCC3=CC=CC=C3)NC(=O)C(C4=CC=CC=C4OCC5=CC=CC=C5)C(C6CCCCC6)O

InChI

InChI=1S/C41H44N2O5/c1-43-26-32(33-21-11-13-23-36(33)43)25-35(41(46)48-28-30-17-7-3-8-18-30)42-40(45)38(39(44)31-19-9-4-10-20-31)34-22-12-14-24-37(34)47-27-29-15-5-2-6-16-29/h2-3,5-8,11-18,21-24,26,31,35,38-39,44H,4,9-10,19-20,25,27-28H2,1H3,(H,42,45)