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

Systemtic Name: [1-[4-(2-azanyl-2-oxidanylidene-ethyl)phenoxy]-3-(propan-2-ylamino)propan-2-yl] benzoate Openeye Name: [1-[[4-(2-amino-2-oxo-ethyl)phenoxy]methyl]-2-(isopropylamino)ethyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [1-[[4-(2-amino-2-keto-ethyl)phenoxy]methyl]-2-(isopropylamino)ethyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O4/c1-15(2)23-13-19(27-21(25)17-6-4-3-5-7-17)14-26-18-10-8-16(9-11-18)12-20(22)24/h3-11,15,19,23H,12-14H2,1-2H3,(H2,22,24)