(E)-3-[3-[2-[methyl(phenethyl)amino]-2-oxidanylidene-1-phenylmethoxy-ethyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[2-[methyl(phenethyl)amino]-2-oxidanylidene-1-phenylmethoxy-ethyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[1-benzyloxy-2-[methyl(phenethyl)amino]-2-oxo-ethyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[2-[methyl(phenethyl)amino]-2-oxo-1-phenylmethoxyethyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[2-[methyl(phenethyl)amino]-2-oxo-1-phenylmethoxyethyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[1-benzoxy-2-keto-2-[methyl(phenethyl)amino]ethyl]phenyl]acrylic acid Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO4/c1-28(18-17-21-9-4-2-5-10-21)27(31)26(32-20-23-11-6-3-7-12-23)24-14-8-13-22(19-24)15-16-25(29)30/h2-16,19,26H,17-18,20H2,1H3,(H,29,30)/b16-15+