propan-2-yl 4-[4-(1-ethyl-1,5-diazocan-2-yl)phenyl]butanoate

Systemtic Name: propan-2-yl 4-[4-(1-ethyl-1,5-diazocan-2-yl)phenyl]butanoate Openeye Name: isopropyl 4-[4-(1-ethyl-1,5-diazocan-2-yl)phenyl]butanoate CAS Name: 4-[4-(1-ethyl-1,5-diazocan-2-yl)phenyl]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(1-ethyl-1,5-diazocan-2-yl)phenyl]butanoate Traditional Name: 4-[4-(1-ethyl-1,5-diazocan-2-yl)phenyl]butyric acid isopropyl ester Formula: C21H34N2O2 MolecularWeight: 346.50686

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCNCCC1C2=CC=C(C=C2)CCCC(=O)OC(C)C

Isomeric SMILES

CCN1CCCNCCC1C2=CC=C(C=C2)CCCC(=O)OC(C)C

InChI

InChI=1S/C21H34N2O2/c1-4-23-16-6-14-22-15-13-20(23)19-11-9-18(10-12-19)7-5-8-21(24)25-17(2)3/h9-12,17,20,22H,4-8,13-16H2,1-3H3