(E)-3-[4-[2-(3-methoxyphenyl)ethyl-phenyl-carbamoyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[2-(3-methoxyphenyl)ethyl-phenyl-carbamoyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[2-(3-methoxyphenyl)ethyl-phenyl-carbamoyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[N-[2-(3-methoxyphenyl)ethyl]anilino]-oxomethyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[2-(3-methoxyphenyl)ethyl-phenylcarbamoyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[2-(3-methoxyphenyl)ethyl-phenyl-carbamoyl]phenyl]acrylic acid Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCN(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C=CC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CCN(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)/C=C/C(=O)O

InChI

InChI=1S/C25H23NO4/c1-30-23-9-5-6-20(18-23)16-17-26(22-7-3-2-4-8-22)25(29)21-13-10-19(11-14-21)12-15-24(27)28/h2-15,18H,16-17H2,1H3,(H,27,28)/b15-12+