[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 2-(5-phenyltetrazol-2-yl)acetate CAS Name: 2-(5-phenyl-2-tetrazolyl)acetic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate Traditional Name: 2-(5-phenyltetrazol-2-yl)acetic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)CN2N=C(N=N2)C3=CC=CC=C3

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)CN2N=C(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H25N5O3/c25-17(20-16-11-7-2-1-3-8-12-16)14-27-18(26)13-24-22-19(21-23-24)15-9-5-4-6-10-15/h4-6,9-10,16H,1-3,7-8,11-14H2,(H,20,25)