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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1(CCN(C(C1)O)CCC2=C3C=C(C=CC3=NC=C2)OC)C(=O)O

Isomeric SMILES

CCCCCCCNC1(CCN([C@@H](C1)O)CCC2=C3C=C(C=CC3=NC=C2)OC)C(=O)O

InChI

InChI=1S/C25H37N3O4/c1-3-4-5-6-7-13-27-25(24(30)31)12-16-28(23(29)18-25)15-11-19-10-14-26-22-9-8-20(32-2)17-21(19)22/h8-10,14,17,23,27,29H,3-7,11-13,15-16,18H2,1-2H3,(H,30,31)/t23-,25?/m1/s1