sodium 3-methoxy-4-[[5-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]-1,2,3,4-tetrazol-1-yl]methyl]benzoate

Systemtic Name: sodium 3-methoxy-4-[[5-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]-1,2,3,4-tetrazol-1-yl]methyl]benzoate Openeye Name: sodium 3-methoxy-4-[[5-[3-[(E)-2-(2-quinolyl)vinyl]phenyl]tetrazol-1-yl]methyl]benzoate CAS Name: sodium 3-methoxy-4-[[5-[3-[(E)-2-(2-quinolinyl)ethenyl]phenyl]-1-tetrazolyl]methyl]benzoate IUPAC Name: sodium 3-methoxy-4-[[5-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]tetrazol-1-yl]methyl]benzoate Traditional Name: sodium 3-methoxy-4-[[5-[3-[(E)-2-(2-quinolyl)vinyl]phenyl]tetrazol-1-yl]methyl]benzoate Formula: C27H20N5NaO3 MolecularWeight: 485.46917

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)[O-])CN2C(=NN=N2)C3=CC(=CC=C3)C=CC4=NC5=CC=CC=C5C=C4.[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)[O-])CN2C(=NN=N2)C3=CC(=CC=C3)/C=C/C4=NC5=CC=CC=C5C=C4.[Na+]

InChI

InChI=1S/C27H21N5O3.Na/c1-35-25-16-21(27(33)34)10-11-22(25)17-32-26(29-30-31-32)20-7-4-5-18(15-20)9-13-23-14-12-19-6-2-3-8-24(19)28-23;/h2-16H,17H2,1H3,(H,33,34);/q;+1/p-1/b13-9+;