(phenylmethyl) (E,2S)-2-[bis(phenylmethyl)amino]-6-methoxy-hex-5-enoate

Systemtic Name: (phenylmethyl) (E,2S)-2-[bis(phenylmethyl)amino]-6-methoxy-hex-5-enoate Openeye Name: benzyl (E,2S)-2-(dibenzylamino)-6-methoxy-hex-5-enoate CAS Name: (E,2S)-2-[bis(phenylmethyl)amino]-6-methoxy-5-hexenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,2S)-2-(dibenzylamino)-6-methoxyhex-5-enoate Traditional Name: (E,2S)-2-(dibenzylamino)-6-methoxy-hex-5-enoic acid benzyl ester Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

COC=CCCC(C(=O)OCC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CO/C=C/CC[C@@H](C(=O)OCC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C28H31NO3/c1-31-20-12-11-19-27(28(30)32-23-26-17-9-4-10-18-26)29(21-24-13-5-2-6-14-24)22-25-15-7-3-8-16-25/h2-10,12-18,20,27H,11,19,21-23H2,1H3/b20-12+/t27-/m0/s1