methyl (E,7S)-7-[2-hydroxyethyl(phenylmethoxycarbonyl)amino]-3-oxidanylidene-dodec-4-enoate

Systemtic Name: methyl (E,7S)-7-[2-hydroxyethyl(phenylmethoxycarbonyl)amino]-3-oxidanylidene-dodec-4-enoate Openeye Name: methyl (E,7S)-7-[benzyloxycarbonyl(2-hydroxyethyl)amino]-3-oxo-dodec-4-enoate CAS Name: (E,7S)-7-[2-hydroxyethyl(phenylmethoxycarbonyl)amino]-3-oxo-4-dodecenoic acid methyl ester IUPAC Name: methyl (E,7S)-7-[2-hydroxyethyl(phenylmethoxycarbonyl)amino]-3-oxododec-4-enoate Traditional Name: (E,7S)-7-[carbobenzoxy(2-hydroxyethyl)amino]-3-keto-dodec-4-enoic acid methyl ester Formula: C23H33NO6 MolecularWeight: 419.51122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC=CC(=O)CC(=O)OC)N(CCO)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCC[C@@H](C/C=C/C(=O)CC(=O)OC)N(CCO)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C23H33NO6/c1-3-4-6-12-20(13-9-14-21(26)17-22(27)29-2)24(15-16-25)23(28)30-18-19-10-7-5-8-11-19/h5,7-11,14,20,25H,3-4,6,12-13,15-18H2,1-2H3/b14-9+/t20-/m0/s1