2-oxidanyl-2-phenyl-ethanoate; 3-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperidin-1-yl)propan-1-ol

Systemtic Name: 2-oxidanyl-2-phenyl-ethanoate; 3-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperidin-1-yl)propan-1-ol Openeye Name: 2-hydroxy-2-phenyl-acetate; 3-(4-isopropylphenoxy)-1-(4-quinoxalin-2-yl-1-piperidyl)propan-1-ol CAS Name: 2-hydroxy-2-phenylacetate; 3-(4-propan-2-ylphenoxy)-1-[4-(2-quinoxalinyl)-1-piperidinyl]-1-propanol IUPAC Name: 2-hydroxy-2-phenylacetate; 3-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperidin-1-yl)propan-1-ol Traditional Name: 2-hydroxy-2-phenyl-acetate; 3-(4-isopropylphenoxy)-1-(4-quinoxalin-2-ylpiperidino)propan-1-ol Formula: C33H38N3O5- MolecularWeight: 556.67192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCCC(N2CCC(CC2)C3=NC4=CC=CC=C4N=C3)O.C1=CC=C(C=C1)C(C(=O)[O-])O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCCC(N2CCC(CC2)C3=NC4=CC=CC=C4N=C3)O.C1=CC=C(C=C1)C(C(=O)[O-])O

InChI

InChI=1S/C25H31N3O2.C8H8O3/c1-18(2)19-7-9-21(10-8-19)30-16-13-25(29)28-14-11-20(12-15-28)24-17-26-22-5-3-4-6-23(22)27-24;9-7(8(10)11)6-4-2-1-3-5-6/h3-10,17-18,20,25,29H,11-16H2,1-2H3;1-5,7,9H,(H,10,11)/p-1