3-[6-[3-(pyridin-2-ylamino)propoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[6-[3-(pyridin-2-ylamino)propoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[6-[3-(2-pyridylamino)propoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[6-[3-(2-pyridinylamino)propoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[6-[3-(pyridin-2-ylamino)propoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 3-[6-[3-(2-pyridylamino)propoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)OCCCNC3=CC=CC=N3)CCC(=O)O

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)OCCCNC3=CC=CC=N3)CCC(=O)O

InChI

InChI=1S/C20H25N3O3/c24-20(25)8-12-23-11-7-16-14-18(6-5-17(16)15-23)26-13-3-10-22-19-4-1-2-9-21-19/h1-2,4-6,9,14H,3,7-8,10-13,15H2,(H,21,22)(H,24,25)