4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(phenylmethyl)piperidin-4-ol; propan-2-ol; titanium

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(phenylmethyl)piperidin-4-ol; propan-2-ol; titanium Openeye Name: 1-benzyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]piperidin-4-ol; propan-2-ol; titanium CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(phenylmethyl)-4-piperidinol; 2-propanol; titanium IUPAC Name: 1-benzyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]piperidin-4-ol; propan-2-ol; titanium Traditional Name: 1-benzyl-4-(homoveratrylamino)piperidin-4-ol; propan-2-ol; titanium Formula: C31H54N2O6Ti MolecularWeight: 598.63726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CC(C)O.CC(C)O.COC1=C(C=C(C=C1)CCNC2(CCN(CC2)CC3=CC=CC=C3)O)OC.[Ti]

Isomeric SMILES

CC(C)O.CC(C)O.CC(C)O.COC1=C(C=C(C=C1)CCNC2(CCN(CC2)CC3=CC=CC=C3)O)OC.[Ti]

InChI

InChI=1S/C22H30N2O3.3C3H8O.Ti/c1-26-20-9-8-18(16-21(20)27-2)10-13-23-22(25)11-14-24(15-12-22)17-19-6-4-3-5-7-19;3*1-3(2)4;/h3-9,16,23,25H,10-15,17H2,1-2H3;3*3-4H,1-2H3;