tert-butyl (E,3S)-5-phenyl-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]pent-4-enoate

Systemtic Name: tert-butyl (E,3S)-5-phenyl-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]pent-4-enoate Openeye Name: tert-butyl (E,3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-phenyl-pent-4-enoate CAS Name: (E,3S)-5-phenyl-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-phenylpent-4-enoate Traditional Name: (E,3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-phenyl-pent-4-enoic acid tert-butyl ester Formula: C30H35NO2 MolecularWeight: 441.6044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35NO2/c1-24(27-18-12-7-13-19-27)31(23-26-16-10-6-11-17-26)28(22-29(32)33-30(2,3)4)21-20-25-14-8-5-9-15-25/h5-21,24,28H,22-23H2,1-4H3/b21-20+/t24-,28-/m1/s1