methyl 3-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate

Systemtic Name: methyl 3-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate Openeye Name: methyl 3-[2-[[(1R)-1-(2-naphthyl)ethyl]amino]-2-oxo-ethoxy]benzotriazole-5-carboxylate CAS Name: 3-[2-[[(1R)-1-(2-naphthalenyl)ethyl]amino]-2-oxoethoxy]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate Traditional Name: 3-[2-keto-2-[[(1R)-1-(2-naphthyl)ethyl]amino]ethoxy]benzotriazole-5-carboxylic acid methyl ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=C1)NC(=O)CON3C4=C(C=CC(=C4)C(=O)OC)N=N3

Isomeric SMILES

C[C@H](C1=CC2=CC=CC=C2C=C1)NC(=O)CON3C4=C(C=CC(=C4)C(=O)OC)N=N3

InChI

InChI=1S/C22H20N4O4/c1-14(16-8-7-15-5-3-4-6-17(15)11-16)23-21(27)13-30-26-20-12-18(22(28)29-2)9-10-19(20)24-25-26/h3-12,14H,13H2,1-2H3,(H,23,27)/t14-/m1/s1