5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-oxidanyl-ethyl]-N-methyl-2-oxidanyl-benzamide

Systemtic Name: 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-oxidanyl-ethyl]-N-methyl-2-oxidanyl-benzamide Openeye Name: 5-[2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-N-methyl-benzamide CAS Name: 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxy-N-methylbenzamide IUPAC Name: 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxy-N-methylbenzamide Traditional Name: 5-[2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-N-methyl-benzamide Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=C(C=C3)O)C(=O)NC)O

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=C(C=C3)O)C(=O)NC)O

InChI

InChI=1S/C21H26N2O5/c1-13(3-4-14-5-8-19-20(9-14)28-12-27-19)23-11-18(25)15-6-7-17(24)16(10-15)21(26)22-2/h5-10,13,18,23-25H,3-4,11-12H2,1-2H3,(H,22,26)