2-ethylhexyl 4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepane-1-carboxylate

Systemtic Name: 2-ethylhexyl 4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepane-1-carboxylate Openeye Name: 2-ethylhexyl 4-(2-anilino-2-oxo-ethyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(2-anilino-2-oxoethyl)-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-(2-anilino-2-oxoethyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(2-anilino-2-keto-ethyl)-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester Formula: C22H35N3O3 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)N1CCCN(CC1)CC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)COC(=O)N1CCCN(CC1)CC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H35N3O3/c1-3-5-10-19(4-2)18-28-22(27)25-14-9-13-24(15-16-25)17-21(26)23-20-11-7-6-8-12-20/h6-8,11-12,19H,3-5,9-10,13-18H2,1-2H3,(H,23,26)