ethyl (1S,2S)-2-[[(1,5-dimethylpyrazol-3-yl)methyl-quinolin-4-ylcarbonyl-amino]methyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-2-[[(1,5-dimethylpyrazol-3-yl)methyl-quinolin-4-ylcarbonyl-amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[(1,5-dimethylpyrazol-3-yl)methyl-(quinoline-4-carbonyl)amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[(1,5-dimethyl-3-pyrazolyl)methyl-[oxo(4-quinolinyl)methyl]amino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[(1,5-dimethylpyrazol-3-yl)methyl-(quinoline-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[cinchoninoyl-[(1,5-dimethylpyrazol-3-yl)methyl]amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1CN(CC2=NN(C(=C2)C)C)C(=O)C3=CC=NC4=CC=CC=C34

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1CN(CC2=NN(C(=C2)C)C)C(=O)C3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C23H26N4O3/c1-4-30-23(29)20-12-16(20)13-27(14-17-11-15(2)26(3)25-17)22(28)19-9-10-24-21-8-6-5-7-18(19)21/h5-11,16,20H,4,12-14H2,1-3H3/t16-,20+/m1/s1