(E)-3-[4-(imidazol-1-ylmethyl)-2-(2-naphthalen-2-ylethoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(imidazol-1-ylmethyl)-2-(2-naphthalen-2-ylethoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(imidazol-1-ylmethyl)-2-[2-(2-naphthyl)ethoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(1-imidazolylmethyl)-2-[2-(2-naphthalenyl)ethoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(imidazol-1-ylmethyl)-2-(2-naphthalen-2-ylethoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(imidazol-1-ylmethyl)-2-[2-(2-naphthyl)ethoxy]phenyl]acrylic acid Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CN4C=CN=C4)C=CC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CN4C=CN=C4)/C=C/C(=O)O

InChI

InChI=1S/C25H22N2O3/c28-25(29)10-9-22-8-6-20(17-27-13-12-26-18-27)16-24(22)30-14-11-19-5-7-21-3-1-2-4-23(21)15-19/h1-10,12-13,15-16,18H,11,14,17H2,(H,28,29)/b10-9+