[(2R,3S)-3-[bis(phenylmethyl)amino]-2-oxidanyl-butyl] (E)-3-phenylprop-2-enoate

Systemtic Name: [(2R,3S)-3-[bis(phenylmethyl)amino]-2-oxidanyl-butyl] (E)-3-phenylprop-2-enoate Openeye Name: [(2R,3S)-3-(dibenzylamino)-2-hydroxy-butyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [(2R,3S)-3-[bis(phenylmethyl)amino]-2-hydroxybutyl] ester IUPAC Name: [(2R,3S)-3-(dibenzylamino)-2-hydroxybutyl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [(2R,3S)-3-(dibenzylamino)-2-hydroxy-butyl] ester Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO3/c1-22(26(29)21-31-27(30)18-17-23-11-5-2-6-12-23)28(19-24-13-7-3-8-14-24)20-25-15-9-4-10-16-25/h2-18,22,26,29H,19-21H2,1H3/b18-17+/t22-,26-/m0/s1