ethyl (E)-3-[[(3R)-1-oxidanyloctan-3-yl]amino]-6-phenylmethoxy-hex-2-enoate

Systemtic Name: ethyl (E)-3-[[(3R)-1-oxidanyloctan-3-yl]amino]-6-phenylmethoxy-hex-2-enoate Openeye Name: ethyl (E)-6-benzyloxy-3-[[(1R)-1-(2-hydroxyethyl)hexyl]amino]hex-2-enoate CAS Name: (E)-3-[[(3R)-1-hydroxyoctan-3-yl]amino]-6-phenylmethoxy-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[(3R)-1-hydroxyoctan-3-yl]amino]-6-phenylmethoxyhex-2-enoate Traditional Name: (E)-6-benzoxy-3-[[(1R)-1-(2-hydroxyethyl)hexyl]amino]hex-2-enoic acid ethyl ester Formula: C23H37NO4 MolecularWeight: 391.54418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCO)NC(=CC(=O)OCC)CCCOCC1=CC=CC=C1

Isomeric SMILES

CCCCC[C@H](CCO)N/C(=C/C(=O)OCC)/CCCOCC1=CC=CC=C1

InChI

InChI=1S/C23H37NO4/c1-3-5-7-13-21(15-16-25)24-22(18-23(26)28-4-2)14-10-17-27-19-20-11-8-6-9-12-20/h6,8-9,11-12,18,21,24-25H,3-5,7,10,13-17,19H2,1-2H3/b22-18+/t21-/m1/s1