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

Systemtic Name: 5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]-3-quinolin-3-yl-pentanoic acid Openeye Name: 5-[1-[4-(2-pyridylamino)butanoyl]-4-piperidyl]-3-(3-quinolyl)pentanoic acid CAS Name: 5-[1-[1-oxo-4-(2-pyridinylamino)butyl]-4-piperidinyl]-3-(3-quinolinyl)pentanoic acid IUPAC Name: 5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]-3-quinolin-3-ylpentanoic acid Traditional Name: 5-[1-[4-(2-pyridylamino)butanoyl]-4-piperidyl]-3-(3-quinolyl)valeric acid Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC(CC(=O)O)C2=CC3=CC=CC=C3N=C2)C(=O)CCCNC4=CC=CC=N4

Isomeric SMILES

C1CN(CCC1CCC(CC(=O)O)C2=CC3=CC=CC=C3N=C2)C(=O)CCCNC4=CC=CC=N4

InChI

InChI=1S/C28H34N4O3/c33-27(9-5-15-30-26-8-3-4-14-29-26)32-16-12-21(13-17-32)10-11-22(19-28(34)35)24-18-23-6-1-2-7-25(23)31-20-24/h1-4,6-8,14,18,20-22H,5,9-13,15-17,19H2,(H,29,30)(H,34,35)