(Z)-3-[[2-chloranyl-5-(octadecanoylamino)phenyl]amino]-3-methoxy-prop-2-enoic acid

Systemtic Name: (Z)-3-[[2-chloranyl-5-(octadecanoylamino)phenyl]amino]-3-methoxy-prop-2-enoic acid Openeye Name: (Z)-3-[2-chloro-5-(octadecanoylamino)anilino]-3-methoxy-prop-2-enoic acid CAS Name: (Z)-3-[2-chloro-5-(1-oxooctadecylamino)anilino]-3-methoxy-2-propenoic acid IUPAC Name: (Z)-3-[2-chloro-5-(octadecanoylamino)anilino]-3-methoxyprop-2-enoic acid Traditional Name: (Z)-3-(2-chloro-5-stearamido-anilino)-3-methoxy-acrylic acid Formula: C28H45ClN2O4 MolecularWeight: 509.1209

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=CC(=O)O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)Cl)N/C(=C/C(=O)O)/OC

InChI

InChI=1S/C28H45ClN2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(32)30-23-19-20-24(29)25(21-23)31-27(35-2)22-28(33)34/h19-22,31H,3-18H2,1-2H3,(H,30,32)(H,33,34)/b27-22-