ethyl 3-(2-piperidin-4-yloxyethanoylamino)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC2=C(CCNC2)C=C1)NC(=O)COC3CCNCC3

Isomeric SMILES

CCOC(=O)CC(C1=CC2=C(CCNC2)C=C1)NC(=O)COC3CCNCC3

InChI

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