N-(1-adamantyl)-2-[3-[(2R)-2-[[(2R)-2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]propyl]phenyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[3-[(2R)-2-[[(2R)-2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]propyl]phenyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide CAS Name: N-(1-adamantyl)-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide Traditional Name: N-(1-adamantyl)-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methylol-phenyl)ethyl]amino]propyl]phenyl]acetamide Formula: C30H40N2O4 MolecularWeight: 492.6496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC(=C1)CC(=O)NC23CC4CC(C2)CC(C4)C3)NCC(C5=CC(=C(C=C5)O)CO)O

Isomeric SMILES

C[C@H](CC1=CC=CC(=C1)CC(=O)NC23CC4CC(C2)CC(C4)C3)NC[C@@H](C5=CC(=C(C=C5)O)CO)O

InChI

InChI=1S/C30H40N2O4/c1-19(31-17-28(35)25-5-6-27(34)26(13-25)18-33)7-20-3-2-4-21(8-20)12-29(36)32-30-14-22-9-23(15-30)11-24(10-22)16-30/h2-6,8,13,19,22-24,28,31,33-35H,7,9-12,14-18H2,1H3,(H,32,36)/t19-,22?,23?,24?,28+,30?/m1/s1