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

Systemtic Name: 4-[[4-[3-cyano-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]piperazin-1-yl]carbonylamino]benzoic acid Openeye Name: 4-[[4-[3-cyano-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-quinolyl]piperazine-1-carbonyl]amino]benzoic acid CAS Name: 4-[[[4-[3-cyano-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-quinolinyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-[3-cyano-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]piperazine-1-carbonyl]amino]benzoic acid Traditional Name: 4-[[4-[3-cyano-6-methoxy-7-(3-pyrrolidinopropoxy)-4-quinolyl]piperazine-1-carbonyl]amino]benzoic acid Formula: C30H34N6O5 MolecularWeight: 558.62816

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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)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)O)OCCCN5CCCC5

InChI

InChI=1S/C30H34N6O5/c1-40-26-17-24-25(18-27(26)41-16-4-11-34-9-2-3-10-34)32-20-22(19-31)28(24)35-12-14-36(15-13-35)30(39)33-23-7-5-21(6-8-23)29(37)38/h5-8,17-18,20H,2-4,9-16H2,1H3,(H,33,39)(H,37,38)