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

Systemtic Name: ethyl 3-[7-(2-piperidin-4-yloxyethanoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]propanoate Openeye Name: ethyl 3-[7-[[2-(4-piperidyloxy)acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoate CAS Name: 3-[7-[[1-oxo-2-(4-piperidinyloxy)ethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-[(2-piperidin-4-yloxyacetyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoate Traditional Name: 3-[7-[[2-(4-piperidyloxy)acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid ethyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CCC2=C(C1)C=C(C=C2)NC(=O)COC3CCNCC3

Isomeric SMILES

CCOC(=O)CCN1CCC2=C(C1)C=C(C=C2)NC(=O)COC3CCNCC3

InChI

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