hexan-2-yl 3-(phenethylamino)butanoate

Systemtic Name: hexan-2-yl 3-(phenethylamino)butanoate Openeye Name: 1-methylpentyl 3-(phenethylamino)butanoate CAS Name: 3-(phenethylamino)butanoic acid hexan-2-yl ester IUPAC Name: hexan-2-yl 3-(phenethylamino)butanoate Traditional Name: 3-(phenethylamino)butyric acid 1-methylpentyl ester Formula: C18H29NO2 MolecularWeight: 291.42836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC(=O)CC(C)NCCC1=CC=CC=C1

Isomeric SMILES

CCCCC(C)OC(=O)CC(C)NCCC1=CC=CC=C1

InChI

InChI=1S/C18H29NO2/c1-4-5-9-16(3)21-18(20)14-15(2)19-13-12-17-10-7-6-8-11-17/h6-8,10-11,15-16,19H,4-5,9,12-14H2,1-3H3