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

Systemtic Name: N-(1-adamantylmethyl)-2-[3-[(2R)-2-[[(2R)-2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]propyl]phenyl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methylol-phenyl)ethyl]amino]propyl]phenyl]acetamide Formula: C31H42N2O4 MolecularWeight: 506.67618

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC(=C1)CC(=O)NCC23CC4CC(C2)CC(C4)C3)NCC(C5=CC(=C(C=C5)O)CO)O

Isomeric SMILES

C[C@H](CC1=CC=CC(=C1)CC(=O)NCC23CC4CC(C2)CC(C4)C3)NC[C@@H](C5=CC(=C(C=C5)O)CO)O

InChI

InChI=1S/C31H42N2O4/c1-20(32-17-29(36)26-5-6-28(35)27(13-26)18-34)7-21-3-2-4-22(8-21)12-30(37)33-19-31-14-23-9-24(15-31)11-25(10-23)16-31/h2-6,8,13,20,23-25,29,32,34-36H,7,9-12,14-19H2,1H3,(H,33,37)/t20-,23?,24?,25?,29+,31?/m1/s1