4-[7-(2-piperidin-4-yloxyethanoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid

Systemtic Name: 4-[7-(2-piperidin-4-yloxyethanoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid Openeye Name: 4-[7-[[2-(4-piperidyloxy)acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid CAS Name: 4-[7-[[1-oxo-2-(4-piperidinyloxy)ethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid IUPAC Name: 4-[7-[(2-piperidin-4-yloxyacetyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid Traditional Name: 4-[7-[[2-(4-piperidyloxy)acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]butyric acid Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OCC(=O)NC2=CC3=C(CCN(C3)CCCC(=O)O)C=C2

Isomeric SMILES

C1CNCCC1OCC(=O)NC2=CC3=C(CCN(C3)CCCC(=O)O)C=C2

InChI

InChI=1S/C20H29N3O4/c24-19(14-27-18-5-8-21-9-6-18)22-17-4-3-15-7-11-23(13-16(15)12-17)10-1-2-20(25)26/h3-4,12,18,21H,1-2,5-11,13-14H2,(H,22,24)(H,25,26)