3-[5-[4-oxidanyl-3-[(2-tetradecoxyphenyl)carbamoyl]naphthalen-1-yl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzoic acid

Systemtic Name: 3-[5-[4-oxidanyl-3-[(2-tetradecoxyphenyl)carbamoyl]naphthalen-1-yl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzoic acid Openeye Name: 3-[5-[[4-hydroxy-3-[(2-tetradecoxyphenyl)carbamoyl]-1-naphthyl]sulfanyl]tetrazol-1-yl]benzoic acid CAS Name: 3-[5-[[4-hydroxy-3-[oxo-(2-tetradecoxyanilino)methyl]-1-naphthalenyl]thio]-1-tetrazolyl]benzoic acid IUPAC Name: 3-[5-[4-hydroxy-3-[(2-tetradecoxyphenyl)carbamoyl]naphthalen-1-yl]sulfanyltetrazol-1-yl]benzoic acid Traditional Name: 3-[5-[[4-hydroxy-3-[(2-myristyloxyphenyl)carbamoyl]-1-naphthyl]thio]tetrazol-1-yl]benzoic acid Formula: C39H45N5O5S MolecularWeight: 695.8701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=NN=NN4C5=CC=CC(=C5)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=NN=NN4C5=CC=CC(=C5)C(=O)O)O

InChI

InChI=1S/C39H45N5O5S/c1-2-3-4-5-6-7-8-9-10-11-12-17-25-49-34-24-16-15-23-33(34)40-37(46)32-27-35(30-21-13-14-22-31(30)36(32)45)50-39-41-42-43-44(39)29-20-18-19-28(26-29)38(47)48/h13-16,18-24,26-27,45H,2-12,17,25H2,1H3,(H,40,46)(H,47,48)