1-butyl-7-methoxy-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]naphthalene-2-carboxylic acid

Systemtic Name: 1-butyl-7-methoxy-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]naphthalene-2-carboxylic acid Openeye Name: 1-butyl-7-methoxy-4-(1-phenyltetrazol-5-yl)oxy-naphthalene-2-carboxylic acid CAS Name: 1-butyl-7-methoxy-4-[(1-phenyl-5-tetrazolyl)oxy]-2-naphthalenecarboxylic acid IUPAC Name: 1-butyl-7-methoxy-4-(1-phenyltetrazol-5-yl)oxynaphthalene-2-carboxylic acid Traditional Name: 1-butyl-7-methoxy-4-(1-phenyltetrazol-5-yl)oxy-2-naphthoic acid Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=C(C=CC2=C(C=C1C(=O)O)OC3=NN=NN3C4=CC=CC=C4)OC

Isomeric SMILES

CCCCC1=C2C=C(C=CC2=C(C=C1C(=O)O)OC3=NN=NN3C4=CC=CC=C4)OC

InChI

InChI=1S/C23H22N4O4/c1-3-4-10-17-19-13-16(30-2)11-12-18(19)21(14-20(17)22(28)29)31-23-24-25-26-27(23)15-8-6-5-7-9-15/h5-9,11-14H,3-4,10H2,1-2H3,(H,28,29)