1-[(2S)-3-(1-methylindol-4-yl)oxy-2-oxidanyl-propyl]-4-quinolin-3-yl-piperidin-4-ol

Systemtic Name: 1-[(2S)-3-(1-methylindol-4-yl)oxy-2-oxidanyl-propyl]-4-quinolin-3-yl-piperidin-4-ol Openeye Name: 1-[(2S)-2-hydroxy-3-(1-methylindol-4-yl)oxy-propyl]-4-(3-quinolyl)piperidin-4-ol CAS Name: 1-[(2S)-2-hydroxy-3-[(1-methyl-4-indolyl)oxy]propyl]-4-(3-quinolinyl)-4-piperidinol IUPAC Name: 1-[(2S)-2-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol Traditional Name: 1-[(2S)-2-hydroxy-3-(1-methylindol-4-yl)oxy-propyl]-4-(3-quinolyl)piperidin-4-ol Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=CC=C2OCC(CN3CCC(CC3)(C4=CC5=CC=CC=C5N=C4)O)O

Isomeric SMILES

CN1C=CC2=C1C=CC=C2OC[C@H](CN3CCC(CC3)(C4=CC5=CC=CC=C5N=C4)O)O

InChI

InChI=1S/C26H29N3O3/c1-28-12-9-22-24(28)7-4-8-25(22)32-18-21(30)17-29-13-10-26(31,11-14-29)20-15-19-5-2-3-6-23(19)27-16-20/h2-9,12,15-16,21,30-31H,10-11,13-14,17-18H2,1H3/t21-/m0/s1