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

Systemtic Name: ethyl (1S,2S)-2-[[(1,5-dimethylpyrazol-3-yl)methyl-quinolin-3-ylcarbonyl-amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[(1,5-dimethylpyrazol-3-yl)methyl-(quinoline-3-carbonyl)amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[(1,5-dimethyl-3-pyrazolyl)methyl-[oxo(3-quinolinyl)methyl]amino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[(1,5-dimethylpyrazol-3-yl)methyl-(quinoline-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[(1,5-dimethylpyrazol-3-yl)methyl-(quinoline-3-carbonyl)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=CC4=CC=CC=C4N=C3

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1CN(CC2=NN(C(=C2)C)C)C(=O)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C23H26N4O3/c1-4-30-23(29)20-11-18(20)13-27(14-19-9-15(2)26(3)25-19)22(28)17-10-16-7-5-6-8-21(16)24-12-17/h5-10,12,18,20H,4,11,13-14H2,1-3H3/t18-,20+/m1/s1