ethyl (E,5S)-5-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]oct-2-enoate

Systemtic Name: ethyl (E,5S)-5-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]oct-2-enoate Openeye Name: ethyl (E,5S)-5-[benzyl-[(1S)-1-phenylethyl]amino]oct-2-enoate CAS Name: (E,5S)-5-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]-2-octenoic acid ethyl ester IUPAC Name: ethyl (E,5S)-5-[benzyl-[(1S)-1-phenylethyl]amino]oct-2-enoate Traditional Name: (E,5S)-5-[benzyl-[(1S)-1-phenylethyl]amino]oct-2-enoic acid ethyl ester Formula: C25H33NO2 MolecularWeight: 379.53502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC=CC(=O)OCC)N(CC1=CC=CC=C1)C(C)C2=CC=CC=C2

Isomeric SMILES

CCC[C@@H](C/C=C/C(=O)OCC)N(CC1=CC=CC=C1)[C@@H](C)C2=CC=CC=C2

InChI

InChI=1S/C25H33NO2/c1-4-13-24(18-12-19-25(27)28-5-2)26(20-22-14-8-6-9-15-22)21(3)23-16-10-7-11-17-23/h6-12,14-17,19,21,24H,4-5,13,18,20H2,1-3H3/b19-12+/t21-,24-/m0/s1