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

Systemtic Name: 2-[7-(2-piperidin-4-yloxyethanoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[7-[[2-(4-piperidyloxy)acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid CAS Name: 2-[7-[[1-oxo-2-(4-piperidinyloxy)ethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid IUPAC Name: 2-[7-[(2-piperidin-4-yloxyacetyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Traditional Name: 2-[7-[[2-(4-piperidyloxy)acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4/c22-17(12-25-16-3-6-19-7-4-16)20-15-2-1-13-5-8-21(11-18(23)24)10-14(13)9-15/h1-2,9,16,19H,3-8,10-12H2,(H,20,22)(H,23,24)