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

Systemtic Name: methyl (4R,5S)-5-[bis(phenylmethyl)amino]-2-methylidene-4-oxidanyl-6-phenyl-hexanoate Openeye Name: methyl (4R,5S)-5-(dibenzylamino)-4-hydroxy-2-methylene-6-phenyl-hexanoate CAS Name: (4R,5S)-5-[bis(phenylmethyl)amino]-4-hydroxy-2-methylene-6-phenylhexanoic acid methyl ester IUPAC Name: methyl (4R,5S)-5-(dibenzylamino)-4-hydroxy-2-methylidene-6-phenylhexanoate Traditional Name: 2-[(2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-butyl]acrylic acid methyl ester Formula: C28H31NO3 MolecularWeight: 429.55064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO3/c1-22(28(31)32-2)18-27(30)26(19-23-12-6-3-7-13-23)29(20-24-14-8-4-9-15-24)21-25-16-10-5-11-17-25/h3-17,26-27,30H,1,18-21H2,2H3/t26-,27+/m0/s1