(1-phenethyl-4-phenyl-azepan-4-yl) propanoate

Systemtic Name: (1-phenethyl-4-phenyl-azepan-4-yl) propanoate Openeye Name: (1-phenethyl-4-phenyl-azepan-4-yl) propanoate CAS Name: propanoic acid (1-phenethyl-4-phenyl-4-azepanyl) ester IUPAC Name: (1-phenethyl-4-phenylazepan-4-yl) propanoate Traditional Name: propionic acid (1-phenethyl-4-phenyl-azepan-4-yl) ester Formula: C23H29NO2 MolecularWeight: 351.48186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CCCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)OC1(CCCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO2/c1-2-22(25)26-23(21-12-7-4-8-13-21)15-9-17-24(19-16-23)18-14-20-10-5-3-6-11-20/h3-8,10-13H,2,9,14-19H2,1H3