2-[5-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[5-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[5-[[(3R)-3-(5-isoquinolylamino)pyrrolidin-1-yl]methyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[5-[[(3R)-3-(5-isoquinolinylamino)-1-pyrrolidinyl]methyl]-2-methylphenoxy]acetic acid IUPAC Name: 2-[5-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[5-[[(3R)-3-(5-isoquinolylamino)pyrrolidino]methyl]-2-methyl-phenoxy]acetic acid Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCC(C2)NC3=CC=CC4=C3C=CN=C4)OCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CC[C@H](C2)NC3=CC=CC4=C3C=CN=C4)OCC(=O)O

InChI

InChI=1S/C23H25N3O3/c1-16-5-6-17(11-22(16)29-15-23(27)28)13-26-10-8-19(14-26)25-21-4-2-3-18-12-24-9-7-20(18)21/h2-7,9,11-12,19,25H,8,10,13-15H2,1H3,(H,27,28)/t19-/m1/s1