methyl 4-[[4-[3-cyano-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[4-[3-cyano-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[4-[3-cyano-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-quinolyl]piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-[3-cyano-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-quinolinyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-cyano-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-[3-cyano-6-methoxy-7-(3-pyrrolidinopropoxy)-4-quinolyl]piperazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C31H36N6O5 MolecularWeight: 572.65474

Click to see the large picture

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)OC)OCCCN5CCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C(=O)OC)OCCCN5CCCC5

InChI

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