butyl (E,2S,6S)-2-[[(1S)-1-phenylethyl]amino]-6-phenylmethoxy-hept-4-enoate

Systemtic Name: butyl (E,2S,6S)-2-[[(1S)-1-phenylethyl]amino]-6-phenylmethoxy-hept-4-enoate Openeye Name: butyl (E,2S,6S)-6-benzyloxy-2-[[(1S)-1-phenylethyl]amino]hept-4-enoate CAS Name: (E,2S,6S)-2-[[(1S)-1-phenylethyl]amino]-6-phenylmethoxy-4-heptenoic acid butyl ester IUPAC Name: butyl (E,2S,6S)-2-[[(1S)-1-phenylethyl]amino]-6-phenylmethoxyhept-4-enoate Traditional Name: (E,2S,6S)-6-benzoxy-2-[[(1S)-1-phenylethyl]amino]hept-4-enoic acid butyl ester Formula: C26H35NO3 MolecularWeight: 409.561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC=CC(C)OCC1=CC=CC=C1)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)[C@H](C/C=C/[C@H](C)OCC1=CC=CC=C1)N[C@@H](C)C2=CC=CC=C2

InChI

InChI=1S/C26H35NO3/c1-4-5-19-29-26(28)25(27-22(3)24-16-10-7-11-17-24)18-12-13-21(2)30-20-23-14-8-6-9-15-23/h6-17,21-22,25,27H,4-5,18-20H2,1-3H3/b13-12+/t21-,22-,25-/m0/s1