3-(azepan-1-yl)propyl 2,2,2-triphenylethanoate

Systemtic Name: 3-(azepan-1-yl)propyl 2,2,2-triphenylethanoate Openeye Name: 3-(azepan-1-yl)propyl 2,2,2-triphenylacetate CAS Name: 2,2,2-triphenylacetic acid 3-(1-azepanyl)propyl ester IUPAC Name: 3-(azepan-1-yl)propyl 2,2,2-triphenylacetate Traditional Name: 2,2,2-triphenylacetic acid 3-(azepan-1-yl)propyl ester Formula: C29H33NO2 MolecularWeight: 427.57782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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