sodium 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enoate

Systemtic Name: sodium 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enoate Openeye Name: sodium 3,3-bis[4-(2-quinolylmethoxy)phenyl]prop-2-enoate CAS Name: sodium 3,3-bis[4-(2-quinolinylmethoxy)phenyl]-2-propenoate IUPAC Name: sodium 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enoate Traditional Name: sodium 3,3-bis[4-(2-quinolylmethoxy)phenyl]acrylate Formula: C35H25N2NaO4 MolecularWeight: 560.57377

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C(=CC(=O)[O-])C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C(=CC(=O)[O-])C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5.[Na+]

InChI

InChI=1S/C35H26N2O4.Na/c38-35(39)21-32(24-11-17-30(18-12-24)40-22-28-15-9-26-5-1-3-7-33(26)36-28)25-13-19-31(20-14-25)41-23-29-16-10-27-6-2-4-8-34(27)37-29;/h1-21H,22-23H2,(H,38,39);/q;+1/p-1