2-ethylhexyl 4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepane-1-carboxylate

Systemtic Name: 2-ethylhexyl 4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepane-1-carboxylate Openeye Name: 2-ethylhexyl 4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-(2,6-dimethylanilino)-2-keto-ethyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester Formula: C24H39N3O3 MolecularWeight: 417.58476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)N1CCCN(CC1)CC(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

CCCCC(CC)COC(=O)N1CCCN(CC1)CC(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C24H39N3O3/c1-5-7-12-21(6-2)18-30-24(29)27-14-9-13-26(15-16-27)17-22(28)25-23-19(3)10-8-11-20(23)4/h8,10-11,21H,5-7,9,12-18H2,1-4H3,(H,25,28)