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

Systemtic Name: 4-isoquinolin-4-yl-1-[(2S)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]piperidin-4-ol; prop-2-enoic acid Openeye Name: acrylic acid; 1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-isoquinolyl)piperidin-4-ol CAS Name: 1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-isoquinolinyl)-4-piperidinol; 2-propenoic acid IUPAC Name: 1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-isoquinolin-4-ylpiperidin-4-ol; prop-2-enoic acid Traditional Name: acrylic acid; 1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-isoquinolyl)piperidin-4-ol Formula: C27H32N2O6 MolecularWeight: 480.55278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(CN2CCC(CC2)(C3=CN=CC4=CC=CC=C43)O)O.C=CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)OC[C@H](CN2CCC(CC2)(C3=CN=CC4=CC=CC=C43)O)O.C=CC(=O)O

InChI

InChI=1S/C24H28N2O4.C3H4O2/c1-29-20-6-8-21(9-7-20)30-17-19(27)16-26-12-10-24(28,11-13-26)23-15-25-14-18-4-2-3-5-22(18)23;1-2-3(4)5/h2-9,14-15,19,27-28H,10-13,16-17H2,1H3;2H,1H2,(H,4,5)/t19-;/m0./s1