(E)-3-[3-chloranyl-5-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-2-phenylmethoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-chloranyl-5-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-2-phenylmethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-benzyloxy-3-chloro-5-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-chloro-5-[2-[methyl(phenethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-chloro-5-[2-[methyl(phenethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-benzoxy-3-chloro-5-[2-keto-2-[methyl(phenethyl)amino]ethyl]phenyl]acrylic acid Formula: C27H26ClNO4 MolecularWeight: 463.95264

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)CC2=CC(=C(C(=C2)C=CC(=O)O)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)CC2=CC(=C(C(=C2)/C=C/C(=O)O)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C27H26ClNO4/c1-29(15-14-20-8-4-2-5-9-20)25(30)18-22-16-23(12-13-26(31)32)27(24(28)17-22)33-19-21-10-6-3-7-11-21/h2-13,16-17H,14-15,18-19H2,1H3,(H,31,32)/b13-12+