[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate CAS Name: (2R)-3-phenyl-2-(1-tetrazolyl)propanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate Traditional Name: (2R)-3-phenyl-2-(tetrazol-1-yl)propionic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C(CC2=CC=CC=C2)N3C=NN=N3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)[C@@H](CC2=CC=CC=C2)N3C=NN=N3)C

InChI

InChI=1S/C21H23N5O3/c1-3-17-11-7-8-15(2)20(17)23-19(27)13-29-21(28)18(26-14-22-24-25-26)12-16-9-5-4-6-10-16/h4-11,14,18H,3,12-13H2,1-2H3,(H,23,27)/t18-/m1/s1