N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxidanyl-3-pyrrolidin-1-yl-propan-2-yl]-7-oxidanylidene-7-phenyl-heptanamide

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxidanyl-3-pyrrolidin-1-yl-propan-2-yl]-7-oxidanylidene-7-phenyl-heptanamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(pyrrolidin-1-ylmethyl)ethyl]-7-oxo-7-phenyl-heptanamide CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(1-pyrrolidinyl)propan-2-yl]-7-oxo-7-phenylheptanamide IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-7-oxo-7-phenylheptanamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(pyrrolidinomethyl)ethyl]-7-keto-7-phenyl-enanthamide Formula: C28H36N2O5 MolecularWeight: 480.59584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O5/c31-24(21-9-3-1-4-10-21)11-5-2-6-12-27(32)29-23(20-30-15-7-8-16-30)28(33)22-13-14-25-26(19-22)35-18-17-34-25/h1,3-4,9-10,13-14,19,23,28,33H,2,5-8,11-12,15-18,20H2,(H,29,32)