3-(4-hydroxyphenyl)-2-[[(3Z)-3-pentadecoxyiminooctadecanoyl]amino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[(3Z)-3-pentadecoxyiminooctadecanoyl]amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[(3Z)-3-pentadecoxyiminooctadecanoyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[(3Z)-1-oxo-3-pentadecoxyiminooctadecyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[(3Z)-3-pentadecoxyiminooctadecanoyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[(3Z)-3-pentadecyloximinooctadecanoyl]amino]propionic acid Formula: C42H74N2O5 MolecularWeight: 687.04736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=NOCCCCCCCCCCCCCCC)CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC/C(=N/OCCCCCCCCCCCCCCC)/CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O

InChI

InChI=1S/C42H74N2O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(36-41(46)43-40(42(47)48)35-37-30-32-39(45)33-31-37)44-49-34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-33,40,45H,3-29,34-36H2,1-2H3,(H,43,46)(H,47,48)/b44-38-