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

Systemtic Name: 2-ethylhexyl 4-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepane-1-carboxylate Openeye Name: 2-ethylhexyl 4-[2-(2,6-diethylanilino)-2-oxo-ethyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-(2,6-diethylanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-[2-(2,6-diethylanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-(2,6-diethylanilino)-2-keto-ethyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester Formula: C26H43N3O3 MolecularWeight: 445.63792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)N1CCCN(CC1)CC(=O)NC2=C(C=CC=C2CC)CC

Isomeric SMILES

CCCCC(CC)COC(=O)N1CCCN(CC1)CC(=O)NC2=C(C=CC=C2CC)CC

InChI

InChI=1S/C26H43N3O3/c1-5-9-12-21(6-2)20-32-26(31)29-16-11-15-28(17-18-29)19-24(30)27-25-22(7-3)13-10-14-23(25)8-4/h10,13-14,21H,5-9,11-12,15-20H2,1-4H3,(H,27,30)