ethyl 2-[2-(azepan-1-yl)ethylcarbamoyl]-2-phenyl-butanoate

Systemtic Name: ethyl 2-[2-(azepan-1-yl)ethylcarbamoyl]-2-phenyl-butanoate Openeye Name: ethyl 2-[2-(azepan-1-yl)ethylcarbamoyl]-2-phenyl-butanoate CAS Name: 2-[[2-(1-azepanyl)ethylamino]-oxomethyl]-2-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(azepan-1-yl)ethylcarbamoyl]-2-phenylbutanoate Traditional Name: 2-[2-(azepan-1-yl)ethylcarbamoyl]-2-phenyl-butyric acid ethyl ester Formula: C21H32N2O3 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C(=O)NCCN2CCCCCC2)C(=O)OCC

Isomeric SMILES

CCC(C1=CC=CC=C1)(C(=O)NCCN2CCCCCC2)C(=O)OCC

InChI

InChI=1S/C21H32N2O3/c1-3-21(20(25)26-4-2,18-12-8-7-9-13-18)19(24)22-14-17-23-15-10-5-6-11-16-23/h7-9,12-13H,3-6,10-11,14-17H2,1-2H3,(H,22,24)