(phenylmethyl) (E,2S,3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]-2-prop-2-enyl-pent-4-enoate

Systemtic Name: (phenylmethyl) (E,2S,3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]-2-prop-2-enyl-pent-4-enoate Openeye Name: benzyl (E,2S,3S)-2-allyl-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pent-4-enoate CAS Name: (E,2S,3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]-2-prop-2-enyl-4-pentenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,2S,3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]-2-prop-2-enylpent-4-enoate Traditional Name: (E,2S,3S)-2-allyl-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pent-4-enoic acid benzyl ester Formula: C29H31NO2 MolecularWeight: 425.56194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(C=CC2=CC=CC=C2)C(CC=C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N[C@@H](/C=C/C2=CC=CC=C2)[C@H](CC=C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H31NO2/c1-3-13-27(29(31)32-22-25-16-9-5-10-17-25)28(21-20-24-14-7-4-8-15-24)30-23(2)26-18-11-6-12-19-26/h3-12,14-21,23,27-28,30H,1,13,22H2,2H3/b21-20+/t23-,27+,28+/m1/s1