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

Systemtic Name: 4-(heptylamino)-1-[(2R)-2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperidine-4-carboxylic acid Openeye Name: 4-(heptylamino)-1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]piperidine-4-carboxylic acid CAS Name: 4-(heptylamino)-1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-(heptylamino)-1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidine-4-carboxylic acid Traditional Name: 4-(heptylamino)-1-[(2R)-2-hydroxy-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(CC1)CC(C2=C3C=C(C=CC3=NC=C2)OC)O)C(=O)O

Isomeric SMILES

CCCCCCCNC1(CCN(CC1)C[C@@H](C2=C3C=C(C=CC3=NC=C2)OC)O)C(=O)O

InChI

InChI=1S/C25H37N3O4/c1-3-4-5-6-7-13-27-25(24(30)31)11-15-28(16-12-25)18-23(29)20-10-14-26-22-9-8-19(32-2)17-21(20)22/h8-10,14,17,23,27,29H,3-7,11-13,15-16,18H2,1-2H3,(H,30,31)/t23-/m0/s1