[1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-yl] pentanoate

Systemtic Name: [1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-yl] pentanoate Openeye Name: [1-[(2-allyloxyphenoxy)methyl]-2-(isopropylamino)ethyl] pentanoate CAS Name: pentanoic acid [1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-yl] ester IUPAC Name: [1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-yl] pentanoate Traditional Name: valeric acid [1-[(2-allyloxyphenoxy)methyl]-2-(isopropylamino)ethyl] ester Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(CNC(C)C)COC1=CC=CC=C1OCC=C

Isomeric SMILES

CCCCC(=O)OC(CNC(C)C)COC1=CC=CC=C1OCC=C

InChI

InChI=1S/C20H31NO4/c1-5-7-12-20(22)25-17(14-21-16(3)4)15-24-19-11-9-8-10-18(19)23-13-6-2/h6,8-11,16-17,21H,2,5,7,12-15H2,1,3-4H3