ethyl 1,3-dimethyl-4-phenyl-azepane-2-carboxylate

Systemtic Name: ethyl 1,3-dimethyl-4-phenyl-azepane-2-carboxylate Openeye Name: ethyl 1,3-dimethyl-4-phenyl-azepane-2-carboxylate CAS Name: 1,3-dimethyl-4-phenyl-2-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 1,3-dimethyl-4-phenylazepane-2-carboxylate Traditional Name: 1,3-dimethyl-4-phenyl-azepane-2-carboxylic acid ethyl ester Formula: C17H25NO2 MolecularWeight: 275.3859

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(CCCN1C)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1C(C(CCCN1C)C2=CC=CC=C2)C

InChI

InChI=1S/C17H25NO2/c1-4-20-17(19)16-13(2)15(11-8-12-18(16)3)14-9-6-5-7-10-14/h5-7,9-10,13,15-16H,4,8,11-12H2,1-3H3