[(Z)-12-[[(2S)-1-(4-hydroxyphenyl)-3-oxidanyl-propan-2-yl]amino]-12-oxidanylidene-dodec-3-enyl] benzoate

Systemtic Name: [(Z)-12-[[(2S)-1-(4-hydroxyphenyl)-3-oxidanyl-propan-2-yl]amino]-12-oxidanylidene-dodec-3-enyl] benzoate Openeye Name: [(Z)-12-[[(1S)-1-(hydroxymethyl)-2-(4-hydroxyphenyl)ethyl]amino]-12-oxo-dodec-3-enyl] benzoate CAS Name: benzoic acid [(Z)-12-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]amino]-12-oxododec-3-enyl] ester IUPAC Name: [(Z)-12-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]amino]-12-oxododec-3-enyl] benzoate Traditional Name: benzoic acid [(Z)-12-[[(1S)-2-hydroxy-1-(4-hydroxybenzyl)ethyl]amino]-12-keto-dodec-3-enyl] ester Formula: C28H37NO5 MolecularWeight: 467.59708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCC=CCCCCCCCC(=O)NC(CC2=CC=C(C=C2)O)CO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC/C=C\CCCCCCCC(=O)N[C@@H](CC2=CC=C(C=C2)O)CO

InChI

InChI=1S/C28H37NO5/c30-22-25(21-23-16-18-26(31)19-17-23)29-27(32)15-11-6-4-2-1-3-5-7-12-20-34-28(33)24-13-9-8-10-14-24/h5,7-10,13-14,16-19,25,30-31H,1-4,6,11-12,15,20-22H2,(H,29,32)/b7-5-/t25-/m0/s1