2-(azepan-1-yl)ethyl 2,2,2-triphenylethanoate

Systemtic Name: 2-(azepan-1-yl)ethyl 2,2,2-triphenylethanoate Openeye Name: 2-(azepan-1-yl)ethyl 2,2,2-triphenylacetate CAS Name: 2,2,2-triphenylacetic acid 2-(1-azepanyl)ethyl ester IUPAC Name: 2-(azepan-1-yl)ethyl 2,2,2-triphenylacetate Traditional Name: 2,2,2-triphenylacetic acid 2-(azepan-1-yl)ethyl ester Formula: C28H31NO2 MolecularWeight: 413.55124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO2/c30-27(31-23-22-29-20-12-1-2-13-21-29)28(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-11,14-19H,1-2,12-13,20-23H2