3-[7-[2-(2,6-dimethylpiperidin-4-yl)oxyethanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[7-[2-(2,6-dimethylpiperidin-4-yl)oxyethanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[7-[[2-[(2,6-dimethyl-4-piperidyl)oxy]acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[7-[[2-[(2,6-dimethyl-4-piperidinyl)oxy]-1-oxoethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[7-[[2-(2,6-dimethylpiperidin-4-yl)oxyacetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 3-[7-[[2-[(2,6-dimethyl-4-piperidyl)oxy]acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(N1)C)OCC(=O)NC2=CC3=C(CCN(C3)CCC(=O)O)C=C2

Isomeric SMILES

CC1CC(CC(N1)C)OCC(=O)NC2=CC3=C(CCN(C3)CCC(=O)O)C=C2

InChI

InChI=1S/C21H31N3O4/c1-14-9-19(10-15(2)22-14)28-13-20(25)23-18-4-3-16-5-7-24(8-6-21(26)27)12-17(16)11-18/h3-4,11,14-15,19,22H,5-10,12-13H2,1-2H3,(H,23,25)(H,26,27)