hexan-2-yl 3-[(phenylmethyl)amino]butanoate

Systemtic Name: hexan-2-yl 3-[(phenylmethyl)amino]butanoate Openeye Name: 1-methylpentyl 3-(benzylamino)butanoate CAS Name: 3-[(phenylmethyl)amino]butanoic acid hexan-2-yl ester IUPAC Name: hexan-2-yl 3-(benzylamino)butanoate Traditional Name: 3-(benzylamino)butyric acid 1-methylpentyl ester Formula: C17H27NO2 MolecularWeight: 277.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC(=O)CC(C)NCC1=CC=CC=C1

Isomeric SMILES

CCCCC(C)OC(=O)CC(C)NCC1=CC=CC=C1

InChI

InChI=1S/C17H27NO2/c1-4-5-9-15(3)20-17(19)12-14(2)18-13-16-10-7-6-8-11-16/h6-8,10-11,14-15,18H,4-5,9,12-13H2,1-3H3