[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] (2R)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate

Systemtic Name: [2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] (2R)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate Openeye Name: [2-(2-naphthylamino)-2-oxo-ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate CAS Name: (2R)-3-phenyl-2-(1-tetrazolyl)propanoic acid [2-(2-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-2-ylamino)-2-oxoethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate Traditional Name: (2R)-3-phenyl-2-(tetrazol-1-yl)propionic acid [2-keto-2-(2-naphthylamino)ethyl] ester Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=CC3=CC=CC=C3C=C2)N4C=NN=N4

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)OCC(=O)NC2=CC3=CC=CC=C3C=C2)N4C=NN=N4

InChI

InChI=1S/C22H19N5O3/c28-21(24-19-11-10-17-8-4-5-9-18(17)13-19)14-30-22(29)20(27-15-23-25-26-27)12-16-6-2-1-3-7-16/h1-11,13,15,20H,12,14H2,(H,24,28)/t20-/m1/s1