ethyl 4-phenylazepane-4-carboxylate hydrate

Systemtic Name: ethyl 4-phenylazepane-4-carboxylate hydrate Openeye Name: ethyl 4-phenylazepane-4-carboxylate hydrate CAS Name: 4-phenyl-4-azepanecarboxylic acid ethyl ester hydrate IUPAC Name: ethyl 4-phenylazepane-4-carboxylate hydrate Traditional Name: 4-phenylazepane-4-carboxylic acid ethyl ester hydrate Formula: C15H23NO3 MolecularWeight: 265.34802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCNCC1)C2=CC=CC=C2.O

Isomeric SMILES

CCOC(=O)C1(CCCNCC1)C2=CC=CC=C2.O

InChI

InChI=1S/C15H21NO2.H2O/c1-2-18-14(17)15(9-6-11-16-12-10-15)13-7-4-3-5-8-13;/h3-5,7-8,16H,2,6,9-12H2,1H3;1H2