ethyl (3S,4R)-4-[bis(phenylmethyl)amino]-5-(4-methoxyphenyl)-3-oxidanyl-pentanoate

Systemtic Name: ethyl (3S,4R)-4-[bis(phenylmethyl)amino]-5-(4-methoxyphenyl)-3-oxidanyl-pentanoate Openeye Name: ethyl (3S,4R)-4-(dibenzylamino)-3-hydroxy-5-(4-methoxyphenyl)pentanoate CAS Name: (3S,4R)-4-[bis(phenylmethyl)amino]-3-hydroxy-5-(4-methoxyphenyl)pentanoic acid ethyl ester IUPAC Name: ethyl (3S,4R)-4-(dibenzylamino)-3-hydroxy-5-(4-methoxyphenyl)pentanoate Traditional Name: (3S,4R)-4-(dibenzylamino)-3-hydroxy-5-(4-methoxyphenyl)valeric acid ethyl ester Formula: C28H33NO4 MolecularWeight: 447.56592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(CC1=CC=C(C=C1)OC)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C[C@@H]([C@@H](CC1=CC=C(C=C1)OC)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O

InChI

InChI=1S/C28H33NO4/c1-3-33-28(31)19-27(30)26(18-22-14-16-25(32-2)17-15-22)29(20-23-10-6-4-7-11-23)21-24-12-8-5-9-13-24/h4-17,26-27,30H,3,18-21H2,1-2H3/t26-,27+/m1/s1