4-(heptylamino)-1-[(2R)-2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 4-(heptylamino)-1-[(2R)-2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperidine-3-carboxylic acid Openeye Name: 4-(heptylamino)-1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]piperidine-3-carboxylic acid CAS Name: 4-(heptylamino)-1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-(heptylamino)-1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidine-3-carboxylic acid Traditional Name: 4-(heptylamino)-1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]nipecotic acid Formula: C25H37N3O4 MolecularWeight: 443.57898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1CCN(CC1C(=O)O)CC(C2=C3C=C(C=CC3=NC=C2)OC)O

Isomeric SMILES

CCCCCCCNC1CCN(CC1C(=O)O)C[C@@H](C2=C3C=C(C=CC3=NC=C2)OC)O

InChI

InChI=1S/C25H37N3O4/c1-3-4-5-6-7-12-26-23-11-14-28(16-21(23)25(30)31)17-24(29)19-10-13-27-22-9-8-18(32-2)15-20(19)22/h8-10,13,15,21,23-24,26,29H,3-7,11-12,14,16-17H2,1-2H3,(H,30,31)/t21?,23?,24-/m0/s1