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

Systemtic Name: methyl (E,3R)-5-phenyl-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]pent-4-enoate Openeye Name: methyl (E,3R)-3-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyl-pent-4-enoate CAS Name: (E,3R)-5-phenyl-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]-4-pentenoic acid methyl ester IUPAC Name: methyl (E,3R)-3-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenylpent-4-enoate Traditional Name: (E,3R)-3-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyl-pent-4-enoic acid methyl ester Formula: C27H29NO2 MolecularWeight: 399.52466

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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=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/C3=CC=CC=C3

InChI

InChI=1S/C27H29NO2/c1-22(25-16-10-5-11-17-25)28(21-24-14-8-4-9-15-24)26(20-27(29)30-2)19-18-23-12-6-3-7-13-23/h3-19,22,26H,20-21H2,1-2H3/b19-18+/t22-,26-/m0/s1