[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-oxo-2-[[(1R)-1-(p-tolyl)propyl]amino]ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-keto-2-[[(1R)-1-(p-tolyl)propyl]amino]ethyl] ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)COC(=O)C2=CC3=C(C=C2)N(N=N3)CC

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)C)NC(=O)COC(=O)C2=CC3=C(C=C2)N(N=N3)CC

InChI

InChI=1S/C21H24N4O3/c1-4-17(15-8-6-14(3)7-9-15)22-20(26)13-28-21(27)16-10-11-19-18(12-16)23-24-25(19)5-2/h6-12,17H,4-5,13H2,1-3H3,(H,22,26)/t17-/m1/s1