4-[2-[(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methylamino]-1-oxidanyl-propyl]phenol; ethanedioic acid

Systemtic Name: 4-[2-[(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methylamino]-1-oxidanyl-propyl]phenol; ethanedioic acid Openeye Name: 4-[1-hydroxy-2-[(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methylamino]propyl]phenol; oxalic acid CAS Name: 4-[2-[(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)methylamino]-1-hydroxypropyl]phenol; oxalic acid IUPAC Name: 4-[2-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylamino]-1-hydroxypropyl]phenol; oxalic acid Traditional Name: 4-[1-hydroxy-2-[(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methylamino]propyl]phenol; oxalic acid Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)CNC(C)C(C2=CC=C(C=C2)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)CNC(C)C(C2=CC=C(C=C2)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O2.C2H2O4/c1-12(2)21-13(3)10-17(15(21)5)11-20-14(4)19(23)16-6-8-18(22)9-7-16;3-1(4)2(5)6/h6-10,12,14,19-20,22-23H,11H2,1-5H3;(H,3,4)(H,5,6)