5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-oxidanyl-ethyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-oxidanyl-ethyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-benzoic acid CAS Name: 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzoic acid Traditional Name: 5-[2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-benzoic acid Formula: C20H23NO6 MolecularWeight: 373.39972

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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)O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO6/c1-12(2-3-13-4-7-18-19(8-13)27-11-26-18)21-10-17(23)14-5-6-16(22)15(9-14)20(24)25/h4-9,12,17,21-23H,2-3,10-11H2,1H3,(H,24,25)