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

Systemtic Name: 3-[5-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-2-phenylmethoxy-phenyl]prop-2-enoic acid Openeye Name: 3-[2-benzyloxy-5-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]phenyl]prop-2-enoic acid CAS Name: 3-[5-[2-[methyl(phenethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]-2-propenoic acid IUPAC Name: 3-[5-[2-[methyl(phenethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoic acid Traditional Name: 3-[2-benzoxy-5-[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)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)C=CC(=O)O

Isomeric SMILES

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

InChI

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