methyl (E,5R)-3-methoxy-5-[[(2S)-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]oct-2-enoate

Systemtic Name: methyl (E,5R)-3-methoxy-5-[[(2S)-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]oct-2-enoate Openeye Name: methyl (E,5R)-5-[[(1S)-1-benzyloxycarbonyl-2-methyl-propyl]amino]-3-methoxy-oct-2-enoate CAS Name: (E,5R)-3-methoxy-5-[[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]amino]-2-octenoic acid methyl ester IUPAC Name: methyl (E,5R)-3-methoxy-5-[[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]amino]oct-2-enoate Traditional Name: (E,5R)-5-[[(1S)-1-carbobenzoxy-2-methyl-propyl]amino]-3-methoxy-oct-2-enoic acid methyl ester Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=CC(=O)OC)OC)NC(C(C)C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC[C@H](C/C(=C\C(=O)OC)/OC)N[C@@H](C(C)C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C22H33NO5/c1-6-10-18(13-19(26-4)14-20(24)27-5)23-21(16(2)3)22(25)28-15-17-11-8-7-9-12-17/h7-9,11-12,14,16,18,21,23H,6,10,13,15H2,1-5H3/b19-14+/t18-,21+/m1/s1