ethyl (1S,2S)-2-[[(1,5-dimethylpyrazol-3-yl)methyl-quinolin-8-ylcarbonyl-amino]methyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-2-[[(1,5-dimethylpyrazol-3-yl)methyl-quinolin-8-ylcarbonyl-amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[(1,5-dimethylpyrazol-3-yl)methyl-(quinoline-8-carbonyl)amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[(1,5-dimethyl-3-pyrazolyl)methyl-[oxo(8-quinolinyl)methyl]amino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[(1,5-dimethylpyrazol-3-yl)methyl-(quinoline-8-carbonyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[(1,5-dimethylpyrazol-3-yl)methyl-(quinoline-8-carbonyl)amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1CN(CC2=NN(C(=C2)C)C)C(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1CN(CC2=NN(C(=C2)C)C)C(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H26N4O3/c1-4-30-23(29)20-12-17(20)13-27(14-18-11-15(2)26(3)25-18)22(28)19-9-5-7-16-8-6-10-24-21(16)19/h5-11,17,20H,4,12-14H2,1-3H3/t17-,20+/m1/s1