phenyl (2R)-2-[[3-(cyanomethyl)-2-phenyl-quinolin-4-yl]carbonylamino]propanoate

Systemtic Name: phenyl (2R)-2-[[3-(cyanomethyl)-2-phenyl-quinolin-4-yl]carbonylamino]propanoate Openeye Name: phenyl (2R)-2-[[3-(cyanomethyl)-2-phenyl-quinoline-4-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[3-(cyanomethyl)-2-phenyl-4-quinolinyl]-oxomethyl]amino]propanoic acid phenyl ester IUPAC Name: phenyl (2R)-2-[[3-(cyanomethyl)-2-phenylquinoline-4-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[3-(cyanomethyl)-2-phenyl-quinoline-4-carbonyl]amino]propionic acid phenyl ester Formula: C27H21N3O3 MolecularWeight: 435.47394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CC#N

Isomeric SMILES

C[C@H](C(=O)OC1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CC#N

InChI

InChI=1S/C27H21N3O3/c1-18(27(32)33-20-12-6-3-7-13-20)29-26(31)24-21-14-8-9-15-23(21)30-25(22(24)16-17-28)19-10-4-2-5-11-19/h2-15,18H,16H2,1H3,(H,29,31)/t18-/m1/s1