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

Systemtic Name: 3-[7-[2-(3-methylpiperidin-4-yl)oxyethanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[7-[[2-[(3-methyl-4-piperidyl)oxy]acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[7-[[2-[(3-methyl-4-piperidinyl)oxy]-1-oxoethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[7-[[2-(3-methylpiperidin-4-yl)oxyacetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 3-[7-[[2-[(3-methyl-4-piperidyl)oxy]acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCC1OCC(=O)NC2=CC3=C(CCN(C3)CCC(=O)O)C=C2

Isomeric SMILES

CC1CNCCC1OCC(=O)NC2=CC3=C(CCN(C3)CCC(=O)O)C=C2

InChI

InChI=1S/C20H29N3O4/c1-14-11-21-7-4-18(14)27-13-19(24)22-17-3-2-15-5-8-23(9-6-20(25)26)12-16(15)10-17/h2-3,10,14,18,21H,4-9,11-13H2,1H3,(H,22,24)(H,25,26)