ethyl 3-[4-cyano-3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methyl-propan-2-yl]amino]-2-phosphonooxy-propoxy]phenyl]propanoate

Systemtic Name: ethyl 3-[4-cyano-3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methyl-propan-2-yl]amino]-2-phosphonooxy-propoxy]phenyl]propanoate Openeye Name: ethyl 3-[4-cyano-3-[(2R)-3-[(2-indan-2-yl-1,1-dimethyl-ethyl)amino]-2-phosphonooxy-propoxy]phenyl]propanoate CAS Name: 3-[4-cyano-3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-phosphonooxypropoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-cyano-3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-phosphonooxypropoxy]phenyl]propanoate Traditional Name: 3-[4-cyano-3-[(2R)-3-[(2-indan-2-yl-1,1-dimethyl-ethyl)amino]-2-phosphonooxy-propoxy]phenyl]propionic acid ethyl ester Formula: C28H37N2O7P MolecularWeight: 544.576341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=C(C=C1)C#N)OCC(CNC(C)(C)CC2CC3=CC=CC=C3C2)OP(=O)(O)O

Isomeric SMILES

CCOC(=O)CCC1=CC(=C(C=C1)C#N)OC[C@@H](CNC(C)(C)CC2CC3=CC=CC=C3C2)OP(=O)(O)O

InChI

InChI=1S/C28H37N2O7P/c1-4-35-27(31)12-10-20-9-11-24(17-29)26(15-20)36-19-25(37-38(32,33)34)18-30-28(2,3)16-21-13-22-7-5-6-8-23(22)14-21/h5-9,11,15,21,25,30H,4,10,12-14,16,18-19H2,1-3H3,(H2,32,33,34)/t25-/m1/s1