4-[[4-[3-cyano-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]piperazin-1-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[4-[3-cyano-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]piperazin-1-yl]carbonylamino]benzoic acid Openeye Name: 4-[[4-[3-cyano-6-methoxy-7-[3-(1-piperidyl)propoxy]-4-quinolyl]piperazine-1-carbonyl]amino]benzoic acid CAS Name: 4-[[[4-[3-cyano-6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinolinyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-[3-cyano-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]piperazine-1-carbonyl]amino]benzoic acid Traditional Name: 4-[[4-[3-cyano-6-methoxy-7-(3-piperidinopropoxy)-4-quinolyl]piperazine-1-carbonyl]amino]benzoic acid Formula: C31H36N6O5 MolecularWeight: 572.65474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C(=O)O)OCCCN5CCCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C(=O)O)OCCCN5CCCCC5

InChI

InChI=1S/C31H36N6O5/c1-41-27-18-25-26(19-28(27)42-17-5-12-35-10-3-2-4-11-35)33-21-23(20-32)29(25)36-13-15-37(16-14-36)31(40)34-24-8-6-22(7-9-24)30(38)39/h6-9,18-19,21H,2-5,10-17H2,1H3,(H,34,40)(H,38,39)