ethyl (3S)-3-[[(E)-1-ethoxy-1-oxidanylidene-hex-2-en-3-yl]-[(1S)-1-phenylethyl]amino]-6-phenylmethoxy-hexanoate

Systemtic Name: ethyl (3S)-3-[[(E)-1-ethoxy-1-oxidanylidene-hex-2-en-3-yl]-[(1S)-1-phenylethyl]amino]-6-phenylmethoxy-hexanoate Openeye Name: ethyl (3S)-6-benzyloxy-3-[[(1E)-1-(2-ethoxy-2-oxo-ethylidene)butyl]-[(1S)-1-phenylethyl]amino]hexanoate CAS Name: (3S)-3-[[(E)-1-ethoxy-1-oxohex-2-en-3-yl]-[(1S)-1-phenylethyl]amino]-6-phenylmethoxyhexanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[[(E)-1-ethoxy-1-oxohex-2-en-3-yl]-[(1S)-1-phenylethyl]amino]-6-phenylmethoxyhexanoate Traditional Name: (3S)-6-benzoxy-3-[[(E)-3-ethoxy-3-keto-1-propyl-prop-1-enyl]-[(1S)-1-phenylethyl]amino]hexanoic acid ethyl ester Formula: C31H43NO5 MolecularWeight: 509.67682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CC(=O)OCC)N(C(C)C1=CC=CC=C1)C(CCCOCC2=CC=CC=C2)CC(=O)OCC

Isomeric SMILES

CCC/C(=C\C(=O)OCC)/N([C@@H](C)C1=CC=CC=C1)[C@@H](CCCOCC2=CC=CC=C2)CC(=O)OCC

InChI

InChI=1S/C31H43NO5/c1-5-15-28(22-30(33)36-6-2)32(25(4)27-18-12-9-13-19-27)29(23-31(34)37-7-3)20-14-21-35-24-26-16-10-8-11-17-26/h8-13,16-19,22,25,29H,5-7,14-15,20-21,23-24H2,1-4H3/b28-22+/t25-,29-/m0/s1