2-ethoxy-5-[4-[(6-methylsulfonyloxynaphthalen-2-yl)methylamino]phenyl]pentanoic acid

Systemtic Name: 2-ethoxy-5-[4-[(6-methylsulfonyloxynaphthalen-2-yl)methylamino]phenyl]pentanoic acid Openeye Name: 2-ethoxy-5-[4-[(6-methylsulfonyloxy-2-naphthyl)methylamino]phenyl]pentanoic acid CAS Name: 2-ethoxy-5-[4-[(6-methylsulfonyloxy-2-naphthalenyl)methylamino]phenyl]pentanoic acid IUPAC Name: 2-ethoxy-5-[4-[(6-methylsulfonyloxynaphthalen-2-yl)methylamino]phenyl]pentanoic acid Traditional Name: 2-ethoxy-5-[4-[(6-methylsulfonyloxy-2-naphthyl)methylamino]phenyl]valeric acid Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCCC1=CC=C(C=C1)NCC2=CC3=C(C=C2)C=C(C=C3)OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCOC(CCCC1=CC=C(C=C1)NCC2=CC3=C(C=C2)C=C(C=C3)OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C25H29NO6S/c1-3-31-24(25(27)28)6-4-5-18-8-12-22(13-9-18)26-17-19-7-10-21-16-23(32-33(2,29)30)14-11-20(21)15-19/h7-16,24,26H,3-6,17H2,1-2H3,(H,27,28)