methyl 3-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzotriazole-5-carboxylate

Systemtic Name: methyl 3-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzotriazole-5-carboxylate Openeye Name: methyl 3-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethoxy]benzotriazole-5-carboxylate CAS Name: 3-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzotriazole-5-carboxylate Traditional Name: 3-[2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethoxy]benzotriazole-5-carboxylic acid methyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CON2C3=C(C=CC(=C3)C(=O)OC)N=N2

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)CON2C3=C(C=CC(=C3)C(=O)OC)N=N2

InChI

InChI=1S/C20H22N4O4/c1-14(8-9-15-6-4-3-5-7-15)21-19(25)13-28-24-18-12-16(20(26)27-2)10-11-17(18)22-23-24/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,21,25)/t14-/m1/s1