(phenylmethyl) 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoate Openeye Name: benzyl 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxy-propanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxy-1-oxopropyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxypropanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxy-propanoyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C32H35NO6 MolecularWeight: 529.6234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(C2=CC3=C(C=C2)OCO3)C(=O)NC(CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(CC1)C(C(C2=CC3=C(C=C2)OCO3)C(=O)NC(CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)O

InChI

InChI=1S/C32H35NO6/c34-30(24-14-8-3-9-15-24)29(25-16-17-27-28(19-25)39-21-38-27)31(35)33-26(18-22-10-4-1-5-11-22)32(36)37-20-23-12-6-2-7-13-23/h1-2,4-7,10-13,16-17,19,24,26,29-30,34H,3,8-9,14-15,18,20-21H2,(H,33,35)