ethanedioic acid; 1-(4-methyl-2-prop-2-enyl-phenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol

Systemtic Name: ethanedioic acid; 1-(4-methyl-2-prop-2-enyl-phenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol Openeye Name: 1-(2-allyl-4-methyl-phenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol; oxalic acid CAS Name: 1-(4-methyl-2-prop-2-enylphenoxy)-3-(4-phenyl-1-piperazinyl)-2-propanol; oxalic acid IUPAC Name: 1-(4-methyl-2-prop-2-enylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol; oxalic acid Traditional Name: 1-(2-allyl-4-methyl-phenoxy)-3-(4-phenylpiperazino)propan-2-ol; oxalic acid Formula: C25H32N2O6 MolecularWeight: 456.53138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O)CC=C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O)CC=C.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30N2O2.C2H2O4/c1-3-7-20-16-19(2)10-11-23(20)27-18-22(26)17-24-12-14-25(15-13-24)21-8-5-4-6-9-21;3-1(4)2(5)6/h3-6,8-11,16,22,26H,1,7,12-15,17-18H2,2H3;(H,3,4)(H,5,6)