2-[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-oxidanyl-ethyl]phenol; ethanedioic acid

Systemtic Name: 2-[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-oxidanyl-ethyl]phenol; ethanedioic acid Openeye Name: 2-[2-[[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]amino]-1-hydroxy-ethyl]phenol; oxalic acid CAS Name: 2-[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-hydroxyethyl]phenol; oxalic acid IUPAC Name: 2-[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-hydroxyethyl]phenol; oxalic acid Traditional Name: 2-[2-[[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]amino]-1-hydroxy-ethyl]phenol; oxalic acid Formula: C21H27NO8 MolecularWeight: 421.44098

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)OC)NCC(C2=CC=CC=C2O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CC1=CC(=C(C=C1)OC)OC)NCC(C2=CC=CC=C2O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25NO4.C2H2O4/c1-13(10-14-8-9-18(23-2)19(11-14)24-3)20-12-17(22)15-6-4-5-7-16(15)21;3-1(4)2(5)6/h4-9,11,13,17,20-22H,10,12H2,1-3H3;(H,3,4)(H,5,6)