propan-2-yl (3R)-3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl (3R)-3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl (3R)-3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-3-(2-nitrophenyl)propanoate CAS Name: (3R)-3-[[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3R)-3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-3-(2-nitrophenyl)propanoate Traditional Name: (3R)-3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)OC(=O)C[C@H](C1=CC=CC=C1[N+](=O)[O-])NC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H25N3O5/c1-15(2)30-21(26)13-19(18-9-5-6-10-20(18)25(28)29)23-22(27)24-12-11-16-7-3-4-8-17(16)14-24/h3-10,15,19H,11-14H2,1-2H3,(H,23,27)/t19-/m1/s1