methyl (3R,4R)-4-[3-(6-methoxyquinolin-3-yl)-3-oxidanylidene-propyl]-1-prop-2-ynyl-piperidine-3-carboxylate

Systemtic Name: methyl (3R,4R)-4-[3-(6-methoxyquinolin-3-yl)-3-oxidanylidene-propyl]-1-prop-2-ynyl-piperidine-3-carboxylate Openeye Name: methyl (3R,4R)-4-[3-(6-methoxy-3-quinolyl)-3-oxo-propyl]-1-prop-2-ynyl-piperidine-3-carboxylate CAS Name: (3R,4R)-4-[3-(6-methoxy-3-quinolinyl)-3-oxopropyl]-1-prop-2-ynyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3R,4R)-4-[3-(6-methoxyquinolin-3-yl)-3-oxopropyl]-1-prop-2-ynylpiperidine-3-carboxylate Traditional Name: (3R,4R)-4-[3-keto-3-(6-methoxy-3-quinolyl)propyl]-1-propargyl-nipecotic acid methyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=CN=C2C=C1)C(=O)CCC3CCN(CC3C(=O)OC)CC#C

Isomeric SMILES

COC1=CC2=CC(=CN=C2C=C1)C(=O)CC[C@@H]3CCN(C[C@@H]3C(=O)OC)CC#C

InChI

InChI=1S/C23H26N2O4/c1-4-10-25-11-9-16(20(15-25)23(27)29-3)5-8-22(26)18-12-17-13-19(28-2)6-7-21(17)24-14-18/h1,6-7,12-14,16,20H,5,8-11,15H2,2-3H3/t16-,20+/m1/s1