2-[4-azanyl-4-oxidanylidene-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoyloxy]butyl]tridecanoic acid

Systemtic Name: 2-[4-azanyl-4-oxidanylidene-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoyloxy]butyl]tridecanoic acid Openeye Name: 2-[4-amino-4-oxo-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoyloxy]butyl]tridecanoic acid CAS Name: 2-[4-amino-4-oxo-3-[1-oxo-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]pentoxy]butyl]tridecanoic acid IUPAC Name: 2-[4-amino-4-oxo-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoyloxy]butyl]tridecanoic acid Traditional Name: 2-[4-amino-4-keto-3-[2-[[(E)-3-phenylacryloyl]amino]pentanoyloxy]butyl]tridecanoic acid Formula: C31H48N2O6 MolecularWeight: 544.72262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCC(C(=O)N)OC(=O)C(CCC)NC(=O)C=CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(CCC(C(=O)N)OC(=O)C(CCC)NC(=O)/C=C/C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C31H48N2O6/c1-3-5-6-7-8-9-10-11-15-19-25(30(36)37)21-22-27(29(32)35)39-31(38)26(16-4-2)33-28(34)23-20-24-17-13-12-14-18-24/h12-14,17-18,20,23,25-27H,3-11,15-16,19,21-22H2,1-2H3,(H2,32,35)(H,33,34)(H,36,37)/b23-20+