[(2S,3S)-3-[bis(phenylmethyl)amino]-2-oxidanyl-4-phenyl-butyl] (E)-pent-2-enoate

Systemtic Name: [(2S,3S)-3-[bis(phenylmethyl)amino]-2-oxidanyl-4-phenyl-butyl] (E)-pent-2-enoate Openeye Name: [(2S,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-butyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic acid [(2S,3S)-3-[bis(phenylmethyl)amino]-2-hydroxy-4-phenylbutyl] ester IUPAC Name: [(2S,3S)-3-(dibenzylamino)-2-hydroxy-4-phenylbutyl] (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [(2S,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-butyl] ester Formula: C29H33NO3 MolecularWeight: 443.57722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO3/c1-2-3-19-29(32)33-23-28(31)27(20-24-13-7-4-8-14-24)30(21-25-15-9-5-10-16-25)22-26-17-11-6-12-18-26/h3-19,27-28,31H,2,20-23H2,1H3/b19-3+/t27-,28+/m0/s1