1-phenylethyl 3,3,5,5-tetramethyl-7-oxidanylidene-4-propyl-1,4-diazepane-1-carboxylate

Systemtic Name: 1-phenylethyl 3,3,5,5-tetramethyl-7-oxidanylidene-4-propyl-1,4-diazepane-1-carboxylate Openeye Name: 1-phenylethyl 3,3,5,5-tetramethyl-7-oxo-4-propyl-1,4-diazepane-1-carboxylate CAS Name: 3,3,5,5-tetramethyl-7-oxo-4-propyl-1,4-diazepane-1-carboxylic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 3,3,5,5-tetramethyl-7-oxo-4-propyl-1,4-diazepane-1-carboxylate Traditional Name: 7-keto-3,3,5,5-tetramethyl-4-propyl-1,4-diazepane-1-carboxylic acid 1-phenylethyl ester Formula: C21H32N2O3 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(CC(=O)N(CC1(C)C)C(=O)OC(C)C2=CC=CC=C2)(C)C

Isomeric SMILES

CCCN1C(CC(=O)N(CC1(C)C)C(=O)OC(C)C2=CC=CC=C2)(C)C

InChI

InChI=1S/C21H32N2O3/c1-7-13-23-20(3,4)14-18(24)22(15-21(23,5)6)19(25)26-16(2)17-11-9-8-10-12-17/h8-12,16H,7,13-15H2,1-6H3