methyl 2-[(2S)-1-heptyl-4-[(2R)-2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-1-heptyl-4-[(2R)-2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-heptyl-4-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-heptyl-4-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-heptyl-4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-heptyl-4-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]piperazin-2-yl]acetic acid methyl ester Formula: C26H39N3O4 MolecularWeight: 457.60556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCN(CC1CC(=O)OC)CC(C2=C3C=C(C=CC3=NC=C2)OC)O

Isomeric SMILES

CCCCCCCN1CCN(C[C@@H]1CC(=O)OC)C[C@@H](C2=C3C=C(C=CC3=NC=C2)OC)O

InChI

InChI=1S/C26H39N3O4/c1-4-5-6-7-8-13-29-15-14-28(18-20(29)16-26(31)33-3)19-25(30)22-11-12-27-24-10-9-21(32-2)17-23(22)24/h9-12,17,20,25,30H,4-8,13-16,18-19H2,1-3H3/t20-,25-/m0/s1