ethyl 3-[4-decoxy-3-(2H-1,2,3,4-tetrazol-5-ylmethyl)phenyl]carbonylbenzoate

Systemtic Name: ethyl 3-[4-decoxy-3-(2H-1,2,3,4-tetrazol-5-ylmethyl)phenyl]carbonylbenzoate Openeye Name: ethyl 3-[4-decoxy-3-(2H-tetrazol-5-ylmethyl)benzoyl]benzoate CAS Name: 3-[[4-decoxy-3-(2H-tetrazol-5-ylmethyl)phenyl]-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-decoxy-3-(2H-tetrazol-5-ylmethyl)benzoyl]benzoate Traditional Name: 3-[4-decoxy-3-(2H-tetrazol-5-ylmethyl)benzoyl]benzoic acid ethyl ester Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)OCC)CC3=NNN=N3

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)OCC)CC3=NNN=N3

InChI

InChI=1S/C28H36N4O4/c1-3-5-6-7-8-9-10-11-17-36-25-16-15-22(19-24(25)20-26-29-31-32-30-26)27(33)21-13-12-14-23(18-21)28(34)35-4-2/h12-16,18-19H,3-11,17,20H2,1-2H3,(H,29,30,31,32)