ethyl 4-[[3-(benzotriazol-2-yl)-5-methyl-2-oxidanyl-phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[3-(benzotriazol-2-yl)-5-methyl-2-oxidanyl-phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methyl-phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-(2-benzotriazolyl)-2-hydroxy-5-methylphenyl]methylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methyl-benzyl]amino]-4-keto-butyric acid ethyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NCC1=C(C(=CC(=C1)C)N2N=C3C=CC=CC3=N2)O

Isomeric SMILES

CCOC(=O)CCC(=O)NCC1=C(C(=CC(=C1)C)N2N=C3C=CC=CC3=N2)O

InChI

InChI=1S/C20H22N4O4/c1-3-28-19(26)9-8-18(25)21-12-14-10-13(2)11-17(20(14)27)24-22-15-6-4-5-7-16(15)23-24/h4-7,10-11,27H,3,8-9,12H2,1-2H3,(H,21,25)