[(8-azanyl-1-oxidanyl-octan-3-yl)oxy-[2-cyanoethyl-[di(propan-2-yl)amino]amino]phosphanyl] benzoate

Systemtic Name: [(8-azanyl-1-oxidanyl-octan-3-yl)oxy-[2-cyanoethyl-[di(propan-2-yl)amino]amino]phosphanyl] benzoate Openeye Name: [[6-amino-1-(2-hydroxyethyl)hexoxy]-[2-cyanoethyl-(diisopropylamino)amino]phosphanyl] benzoate CAS Name: benzoic acid [(8-amino-1-hydroxyoctan-3-yl)oxy-[2-cyanoethyl-[di(propan-2-yl)amino]amino]phosphino] ester IUPAC Name: [(8-amino-1-hydroxyoctan-3-yl)oxy-[2-cyanoethyl-[di(propan-2-yl)amino]amino]phosphanyl] benzoate Traditional Name: benzoic acid [[6-amino-1-(2-hydroxyethyl)hexoxy]-[2-cyanoethyl-(diisopropylamino)amino]phosphino] ester Formula: C24H41N4O4P MolecularWeight: 480.580501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)N(CCC#N)P(OC(CCCCCN)CCO)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)N(C(C)C)N(CCC#N)P(OC(CCCCCN)CCO)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C24H41N4O4P/c1-20(2)28(21(3)4)27(18-11-17-26)33(32-24(30)22-12-7-5-8-13-22)31-23(15-19-29)14-9-6-10-16-25/h5,7-8,12-13,20-21,23,29H,6,9-11,14-16,18-19,25H2,1-4H3