2-(azepan-1-yl)ethyl 3,3,3-triphenylpropanoate

Systemtic Name: 2-(azepan-1-yl)ethyl 3,3,3-triphenylpropanoate Openeye Name: 2-(azepan-1-yl)ethyl 3,3,3-triphenylpropanoate CAS Name: 3,3,3-triphenylpropanoic acid 2-(1-azepanyl)ethyl ester IUPAC Name: 2-(azepan-1-yl)ethyl 3,3,3-triphenylpropanoate Traditional Name: 3,3,3-triphenylpropionic acid 2-(azepan-1-yl)ethyl ester Formula: C29H33NO2 MolecularWeight: 427.57782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC(=O)CC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCOC(=O)CC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H33NO2/c31-28(32-23-22-30-20-12-1-2-13-21-30)24-29(25-14-6-3-7-15-25,26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,14-19H,1-2,12-13,20-24H2