N-[[4-[(2R,4S,5S,6R)-4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]methyl]ethanamide

Systemtic Name: N-[[4-[(2R,4S,5S,6R)-4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]methyl]ethanamide Openeye Name: N-[[4-[(2R,4R,5S,6S)-4-[(4-benzylpiperazin-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]methyl]acetamide CAS Name: N-[[4-[(2R,4S,5S,6R)-4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1,3-dioxan-2-yl]phenyl]methyl]acetamide IUPAC Name: N-[[4-[(2R,4R,5S,6S)-4-[(4-benzylpiperazin-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]methyl]acetamide Traditional Name: N-[4-[(2R,4R,5S,6S)-4-[(4-benzylpiperazino)methyl]-5-methyl-6-(4-methylolphenyl)-1,3-dioxan-2-yl]benzyl]acetamide Formula: C33H41N3O4 MolecularWeight: 543.69634

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)C)CN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)C)CN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C33H41N3O4/c1-24-31(22-36-18-16-35(17-19-36)21-27-6-4-3-5-7-27)39-33(30-14-8-26(9-15-30)20-34-25(2)38)40-32(24)29-12-10-28(23-37)11-13-29/h3-15,24,31-33,37H,16-23H2,1-2H3,(H,34,38)/t24-,31+,32+,33+/m1/s1