[1-[4-(2-azanyl-2-oxidanylidene-ethyl)phenoxy]-3-(propan-2-ylamino)propan-2-yl] hexanoate

Systemtic Name: [1-[4-(2-azanyl-2-oxidanylidene-ethyl)phenoxy]-3-(propan-2-ylamino)propan-2-yl] hexanoate Openeye Name: [1-[[4-(2-amino-2-oxo-ethyl)phenoxy]methyl]-2-(isopropylamino)ethyl] hexanoate CAS Name: hexanoic acid [1-[4-(2-amino-2-oxoethyl)phenoxy]-3-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-[4-(2-amino-2-oxoethyl)phenoxy]-3-(propan-2-ylamino)propan-2-yl] hexanoate Traditional Name: hexanoic acid [1-[[4-(2-amino-2-keto-ethyl)phenoxy]methyl]-2-(isopropylamino)ethyl] ester Formula: C20H32N2O4 MolecularWeight: 364.47908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(CNC(C)C)COC1=CC=C(C=C1)CC(=O)N

Isomeric SMILES

CCCCCC(=O)OC(CNC(C)C)COC1=CC=C(C=C1)CC(=O)N

InChI

InChI=1S/C20H32N2O4/c1-4-5-6-7-20(24)26-18(13-22-15(2)3)14-25-17-10-8-16(9-11-17)12-19(21)23/h8-11,15,18,22H,4-7,12-14H2,1-3H3,(H2,21,23)