methyl (2R,4S,5S)-5-[bis(phenylmethyl)amino]-4-oxidanyl-6-(4-phenylmethoxyphenyl)-2-propyl-hexanoate

Systemtic Name: methyl (2R,4S,5S)-5-[bis(phenylmethyl)amino]-4-oxidanyl-6-(4-phenylmethoxyphenyl)-2-propyl-hexanoate Openeye Name: methyl (2R,4S,5S)-6-(4-benzyloxyphenyl)-5-(dibenzylamino)-4-hydroxy-2-propyl-hexanoate CAS Name: (2R,4S,5S)-5-[bis(phenylmethyl)amino]-4-hydroxy-6-(4-phenylmethoxyphenyl)-2-propylhexanoic acid methyl ester IUPAC Name: methyl (2R,4S,5S)-5-(dibenzylamino)-4-hydroxy-6-(4-phenylmethoxyphenyl)-2-propylhexanoate Traditional Name: (2R,4S,5S)-6-(4-benzoxyphenyl)-5-(dibenzylamino)-4-hydroxy-2-propyl-hexanoic acid methyl ester Formula: C37H43NO4 MolecularWeight: 565.74162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)O)C(=O)OC

Isomeric SMILES

CCC[C@H](C[C@@H]([C@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)O)C(=O)OC

InChI

InChI=1S/C37H43NO4/c1-3-13-33(37(40)41-2)25-36(39)35(24-29-20-22-34(23-21-29)42-28-32-18-11-6-12-19-32)38(26-30-14-7-4-8-15-30)27-31-16-9-5-10-17-31/h4-12,14-23,33,35-36,39H,3,13,24-28H2,1-2H3/t33-,35+,36+/m1/s1