N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxidanyl-3-pyrrolidin-1-yl-propan-2-yl]-8-oxidanylidene-8-phenyl-octanamide

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxidanyl-3-pyrrolidin-1-yl-propan-2-yl]-8-oxidanylidene-8-phenyl-octanamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(pyrrolidin-1-ylmethyl)ethyl]-8-oxo-8-phenyl-octanamide CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(1-pyrrolidinyl)propan-2-yl]-8-oxo-8-phenyloctanamide IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-8-oxo-8-phenyloctanamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(pyrrolidinomethyl)ethyl]-8-keto-8-phenyl-caprylamide Formula: C29H38N2O5 MolecularWeight: 494.62242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(C(C2=CC3=C(C=C2)OCCO3)O)NC(=O)CCCCCCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CC(C(C2=CC3=C(C=C2)OCCO3)O)NC(=O)CCCCCCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H38N2O5/c32-25(22-10-4-3-5-11-22)12-6-1-2-7-13-28(33)30-24(21-31-16-8-9-17-31)29(34)23-14-15-26-27(20-23)36-19-18-35-26/h3-5,10-11,14-15,20,24,29,34H,1-2,6-9,12-13,16-19,21H2,(H,30,33)