4-[3-[3-(aminomethyl)-6-methoxy-quinolin-4-yl]-3-oxidanyl-propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[3-[3-(aminomethyl)-6-methoxy-quinolin-4-yl]-3-oxidanyl-propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid Openeye Name: 4-[3-[3-(aminomethyl)-6-methoxy-4-quinolyl]-3-hydroxy-propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid CAS Name: 4-[3-[3-(aminomethyl)-6-methoxy-4-quinolinyl]-3-hydroxypropyl]-1-(3-phenylpropyl)-4-piperidinecarboxylic acid IUPAC Name: 4-[3-[3-(aminomethyl)-6-methoxyquinolin-4-yl]-3-hydroxypropyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid Traditional Name: 4-[3-[3-(aminomethyl)-6-methoxy-4-quinolyl]-3-hydroxy-propyl]-1-(3-phenylpropyl)isonipecotic acid Formula: C29H37N3O4 MolecularWeight: 491.62178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)CN)C(CCC3(CCN(CC3)CCCC4=CC=CC=C4)C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)CN)C(CCC3(CCN(CC3)CCCC4=CC=CC=C4)C(=O)O)O

InChI

InChI=1S/C29H37N3O4/c1-36-23-9-10-25-24(18-23)27(22(19-30)20-31-25)26(33)11-12-29(28(34)35)13-16-32(17-14-29)15-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-10,18,20,26,33H,5,8,11-17,19,30H2,1H3,(H,34,35)