[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-keto-2-[[(1R)-3-methyl-1-phenyl-butyl]amino]ethyl] ester Formula: C22H26N4O3 MolecularWeight: 394.46684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC(CC(C)C)C3=CC=CC=C3)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N[C@H](CC(C)C)C3=CC=CC=C3)N=N1

InChI

InChI=1S/C22H26N4O3/c1-4-26-20-11-10-17(13-19(20)24-25-26)22(28)29-14-21(27)23-18(12-15(2)3)16-8-6-5-7-9-16/h5-11,13,15,18H,4,12,14H2,1-3H3,(H,23,27)/t18-/m1/s1