(Z)-3-[[2-chloranyl-5-(hexadecanoylamino)phenyl]amino]-3-ethoxy-prop-2-enoic acid

Systemtic Name: (Z)-3-[[2-chloranyl-5-(hexadecanoylamino)phenyl]amino]-3-ethoxy-prop-2-enoic acid Openeye Name: (Z)-3-[2-chloro-5-(hexadecanoylamino)anilino]-3-ethoxy-prop-2-enoic acid CAS Name: (Z)-3-[2-chloro-5-(1-oxohexadecylamino)anilino]-3-ethoxy-2-propenoic acid IUPAC Name: (Z)-3-[2-chloro-5-(hexadecanoylamino)anilino]-3-ethoxyprop-2-enoic acid Traditional Name: (Z)-3-(2-chloro-5-palmitamido-anilino)-3-ethoxy-acrylic acid Formula: C27H43ClN2O4 MolecularWeight: 495.09432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=CC(=O)O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)Cl)N/C(=C/C(=O)O)/OCC

InChI

InChI=1S/C27H43ClN2O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-25(31)29-22-18-19-23(28)24(20-22)30-26(34-4-2)21-27(32)33/h18-21,30H,3-17H2,1-2H3,(H,29,31)(H,32,33)/b26-21-