2-(azepan-1-yl)ethyl 2-acetyloxy-3-phenyl-2-(phenylmethyl)propanoate

Systemtic Name: 2-(azepan-1-yl)ethyl 2-acetyloxy-3-phenyl-2-(phenylmethyl)propanoate Openeye Name: 2-(azepan-1-yl)ethyl 2-acetoxy-2-benzyl-3-phenyl-propanoate CAS Name: 2-acetyloxy-3-phenyl-2-(phenylmethyl)propanoic acid 2-(1-azepanyl)ethyl ester IUPAC Name: 2-(azepan-1-yl)ethyl 2-acetyloxy-2-benzyl-3-phenylpropanoate Traditional Name: 2-acetoxy-2-benzyl-3-phenyl-propionic acid 2-(azepan-1-yl)ethyl ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC1=CC=CC=C1)(CC2=CC=CC=C2)C(=O)OCCN3CCCCCC3

Isomeric SMILES

CC(=O)OC(CC1=CC=CC=C1)(CC2=CC=CC=C2)C(=O)OCCN3CCCCCC3

InChI

InChI=1S/C26H33NO4/c1-22(28)31-26(20-23-12-6-4-7-13-23,21-24-14-8-5-9-15-24)25(29)30-19-18-27-16-10-2-3-11-17-27/h4-9,12-15H,2-3,10-11,16-21H2,1H3