4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]piperazine-1-carboxylic acid Openeye Name: 4-[3-(aminomethyl)-6-methoxy-7-(3-morpholinopropoxy)-4-quinolyl]piperazine-1-carboxylic acid CAS Name: 4-[3-(aminomethyl)-6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinolinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]piperazine-1-carboxylic acid Traditional Name: 4-[3-(aminomethyl)-6-methoxy-7-(3-morpholinopropoxy)-4-quinolyl]piperazine-1-carboxylic acid Formula: C23H33N5O5 MolecularWeight: 459.53862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)CN)N3CCN(CC3)C(=O)O)OCCCN4CCOCC4

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)CN)N3CCN(CC3)C(=O)O)OCCCN4CCOCC4

InChI

InChI=1S/C23H33N5O5/c1-31-20-13-18-19(14-21(20)33-10-2-3-26-8-11-32-12-9-26)25-16-17(15-24)22(18)27-4-6-28(7-5-27)23(29)30/h13-14,16H,2-12,15,24H2,1H3,(H,29,30)