(E)-2-[2-[[4-(2-cyanoethanoyl)phenyl]amino]-2-oxidanylidene-ethyl]icos-13-enoic acid

Systemtic Name: (E)-2-[2-[[4-(2-cyanoethanoyl)phenyl]amino]-2-oxidanylidene-ethyl]icos-13-enoic acid Openeye Name: (E)-2-[2-[4-(2-cyanoacetyl)anilino]-2-oxo-ethyl]icos-13-enoic acid CAS Name: (E)-2-[2-[4-(2-cyano-1-oxoethyl)anilino]-2-oxoethyl]-13-eicosenoic acid IUPAC Name: (E)-2-[2-[4-(2-cyanoacetyl)anilino]-2-oxoethyl]icos-13-enoic acid Traditional Name: (E)-2-[2-[4-(2-cyanoacetyl)anilino]-2-keto-ethyl]eicos-13-enoic acid Formula: C31H46N2O4 MolecularWeight: 510.70794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCCCCC(CC(=O)NC1=CC=C(C=C1)C(=O)CC#N)C(=O)O

Isomeric SMILES

CCCCCC/C=C/CCCCCCCCCCC(CC(=O)NC1=CC=C(C=C1)C(=O)CC#N)C(=O)O

InChI

InChI=1S/C31H46N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(31(36)37)25-30(35)33-28-21-19-26(20-22-28)29(34)23-24-32/h7-8,19-22,27H,2-6,9-18,23,25H2,1H3,(H,33,35)(H,36,37)/b8-7+