ethyl 4-[phenyl(propanoyl)amino]azepane-1-carboxylate

Systemtic Name: ethyl 4-[phenyl(propanoyl)amino]azepane-1-carboxylate Openeye Name: ethyl 4-(N-propanoylanilino)azepane-1-carboxylate CAS Name: 4-[N-(1-oxopropyl)anilino]-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(N-propanoylanilino)azepane-1-carboxylate Traditional Name: 4-(N-propionylanilino)azepane-1-carboxylic acid ethyl ester Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCCN(CC1)C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)N(C1CCCN(CC1)C(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C18H26N2O3/c1-3-17(21)20(15-9-6-5-7-10-15)16-11-8-13-19(14-12-16)18(22)23-4-2/h5-7,9-10,16H,3-4,8,11-14H2,1-2H3