(Z)-3-[[5-(decanoylamino)-2-methoxy-phenyl]amino]-3-ethoxy-prop-2-enoic acid

Systemtic Name: (Z)-3-[[5-(decanoylamino)-2-methoxy-phenyl]amino]-3-ethoxy-prop-2-enoic acid Openeye Name: (Z)-3-[5-(decanoylamino)-2-methoxy-anilino]-3-ethoxy-prop-2-enoic acid CAS Name: (Z)-3-ethoxy-3-[2-methoxy-5-(1-oxodecylamino)anilino]-2-propenoic acid IUPAC Name: (Z)-3-[5-(decanoylamino)-2-methoxyanilino]-3-ethoxyprop-2-enoic acid Traditional Name: (Z)-3-[5-(caprylamino)-2-methoxy-anilino]-3-ethoxy-acrylic acid Formula: C22H34N2O5 MolecularWeight: 406.51576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=CC(=C(C=C1)OC)NC(=CC(=O)O)OCC

Isomeric SMILES

CCCCCCCCCC(=O)NC1=CC(=C(C=C1)OC)N/C(=C/C(=O)O)/OCC

InChI

InChI=1S/C22H34N2O5/c1-4-6-7-8-9-10-11-12-20(25)23-17-13-14-19(28-3)18(15-17)24-21(29-5-2)16-22(26)27/h13-16,24H,4-12H2,1-3H3,(H,23,25)(H,26,27)/b21-16-