4-isoquinolin-4-yl-1-[3-(4-methoxyphenoxy)-1-oxidanyl-propyl]piperidin-4-ol; prop-2-enoate

Systemtic Name: 4-isoquinolin-4-yl-1-[3-(4-methoxyphenoxy)-1-oxidanyl-propyl]piperidin-4-ol; prop-2-enoate Openeye Name: 1-[1-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-isoquinolyl)piperidin-4-ol; prop-2-enoate CAS Name: 1-[1-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-isoquinolinyl)-4-piperidinol; 2-propenoate IUPAC Name: 1-[1-hydroxy-3-(4-methoxyphenoxy)propyl]-4-isoquinolin-4-ylpiperidin-4-ol; prop-2-enoate Traditional Name: acrylate; 1-[1-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-isoquinolyl)piperidin-4-ol Formula: C27H31N2O6- MolecularWeight: 479.54484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCC(N2CCC(CC2)(C3=CN=CC4=CC=CC=C43)O)O.C=CC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OCCC(N2CCC(CC2)(C3=CN=CC4=CC=CC=C43)O)O.C=CC(=O)[O-]

InChI

InChI=1S/C24H28N2O4.C3H4O2/c1-29-19-6-8-20(9-7-19)30-15-10-23(27)26-13-11-24(28,12-14-26)22-17-25-16-18-4-2-3-5-21(18)22;1-2-3(4)5/h2-9,16-17,23,27-28H,10-15H2,1H3;2H,1H2,(H,4,5)/p-1