phenyl (2R,3R)-2-ethyl-3-[(2-methyl-6-oxidanyl-phenyl)amino]-5-phenylmethoxy-pentanoate

Systemtic Name: phenyl (2R,3R)-2-ethyl-3-[(2-methyl-6-oxidanyl-phenyl)amino]-5-phenylmethoxy-pentanoate Openeye Name: phenyl (2R,3R)-5-benzyloxy-2-ethyl-3-(2-hydroxy-6-methyl-anilino)pentanoate CAS Name: (2R,3R)-2-ethyl-3-(2-hydroxy-6-methylanilino)-5-phenylmethoxypentanoic acid phenyl ester IUPAC Name: phenyl (2R,3R)-2-ethyl-3-(2-hydroxy-6-methylanilino)-5-phenylmethoxypentanoate Traditional Name: (2R,3R)-5-benzoxy-2-ethyl-3-(2-hydroxy-6-methyl-anilino)valeric acid phenyl ester Formula: C27H31NO4 MolecularWeight: 433.53934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCOCC1=CC=CC=C1)NC2=C(C=CC=C2O)C)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC[C@H]([C@@H](CCOCC1=CC=CC=C1)NC2=C(C=CC=C2O)C)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C27H31NO4/c1-3-23(27(30)32-22-14-8-5-9-15-22)24(28-26-20(2)11-10-16-25(26)29)17-18-31-19-21-12-6-4-7-13-21/h4-16,23-24,28-29H,3,17-19H2,1-2H3/t23-,24-/m1/s1