propan-2-yl (3S)-3-(3,4-dihydro-2H-quinolin-1-ylcarbonylamino)-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl (3S)-3-(3,4-dihydro-2H-quinolin-1-ylcarbonylamino)-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl (3S)-3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-(2-nitrophenyl)propanoate CAS Name: (3S)-3-[[3,4-dihydro-2H-quinolin-1-yl(oxo)methyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-(2-nitrophenyl)propanoate Traditional Name: (3S)-3-(3,4-dihydro-2H-quinoline-1-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)N2CCCC3=CC=CC=C32

Isomeric SMILES

CC(C)OC(=O)C[C@@H](C1=CC=CC=C1[N+](=O)[O-])NC(=O)N2CCCC3=CC=CC=C32

InChI

InChI=1S/C22H25N3O5/c1-15(2)30-21(26)14-18(17-10-4-6-12-20(17)25(28)29)23-22(27)24-13-7-9-16-8-3-5-11-19(16)24/h3-6,8,10-12,15,18H,7,9,13-14H2,1-2H3,(H,23,27)/t18-/m0/s1