ethanedioic acid; 1-[2-[3-(2-methylbut-3-yn-2-ylamino)-2-oxidanyl-propoxy]phenyl]-3-phenyl-propan-1-ol

Systemtic Name: ethanedioic acid; 1-[2-[3-(2-methylbut-3-yn-2-ylamino)-2-oxidanyl-propoxy]phenyl]-3-phenyl-propan-1-ol Openeye Name: 1-[2-[3-(1,1-dimethylprop-2-ynylamino)-2-hydroxy-propoxy]phenyl]-3-phenyl-propan-1-ol; oxalic acid CAS Name: 1-[2-[2-hydroxy-3-(2-methylbut-3-yn-2-ylamino)propoxy]phenyl]-3-phenyl-1-propanol; oxalic acid IUPAC Name: 1-[2-[2-hydroxy-3-(2-methylbut-3-yn-2-ylamino)propoxy]phenyl]-3-phenylpropan-1-ol; oxalic acid Traditional Name: 1-[2-[3-(1,1-dimethylprop-2-ynylamino)-2-hydroxy-propoxy]phenyl]-3-phenyl-propan-1-ol; oxalic acid Formula: C25H31NO7 MolecularWeight: 457.51614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)NCC(COC1=CC=CC=C1C(CCC2=CC=CC=C2)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C#C)NCC(COC1=CC=CC=C1C(CCC2=CC=CC=C2)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H29NO3.C2H2O4/c1-4-23(2,3)24-16-19(25)17-27-22-13-9-8-12-20(22)21(26)15-14-18-10-6-5-7-11-18;3-1(4)2(5)6/h1,5-13,19,21,24-26H,14-17H2,2-3H3;(H,3,4)(H,5,6)