methyl 5-[2-[[4-(1,3-benzodioxol-5-yl)-2-methyl-butan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 5-[2-[[4-(1,3-benzodioxol-5-yl)-2-methyl-butan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-benzoate Openeye Name: methyl 5-[2-[[3-(1,3-benzodioxol-5-yl)-1,1-dimethyl-propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-benzoate CAS Name: 5-[2-[[4-(1,3-benzodioxol-5-yl)-2-methylbutan-2-yl]amino]-1-hydroxyethyl]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 5-[2-[[4-(1,3-benzodioxol-5-yl)-2-methylbutan-2-yl]amino]-1-hydroxyethyl]-2-hydroxybenzoate Traditional Name: 5-[2-[[3-(1,3-benzodioxol-5-yl)-1,1-dimethyl-propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-benzoic acid methyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6/c1-22(2,9-8-14-4-7-19-20(10-14)29-13-28-19)23-12-18(25)15-5-6-17(24)16(11-15)21(26)27-3/h4-7,10-11,18,23-25H,8-9,12-13H2,1-3H3