methyl 5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]-3-quinolin-3-yl-pentanoate

Systemtic Name: methyl 5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]-3-quinolin-3-yl-pentanoate Openeye Name: methyl 5-[1-[4-(2-pyridylamino)butanoyl]-4-piperidyl]-3-(3-quinolyl)pentanoate CAS Name: 5-[1-[1-oxo-4-(2-pyridinylamino)butyl]-4-piperidinyl]-3-(3-quinolinyl)pentanoic acid methyl ester IUPAC Name: methyl 5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]-3-quinolin-3-ylpentanoate Traditional Name: 5-[1-[4-(2-pyridylamino)butanoyl]-4-piperidyl]-3-(3-quinolyl)valeric acid methyl ester Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCC1CCN(CC1)C(=O)CCCNC2=CC=CC=N2)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

COC(=O)CC(CCC1CCN(CC1)C(=O)CCCNC2=CC=CC=N2)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C29H36N4O3/c1-36-29(35)20-23(25-19-24-7-2-3-8-26(24)32-21-25)12-11-22-13-17-33(18-14-22)28(34)10-6-16-31-27-9-4-5-15-30-27/h2-5,7-9,15,19,21-23H,6,10-14,16-18,20H2,1H3,(H,30,31)