3-[3,3-dimethyl-7-(2-piperidin-4-yloxyethanoylamino)-1,4-dihydroisoquinolin-2-yl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CN1CCC(=O)O)C=C(C=C2)NC(=O)COC3CCNCC3)C

Isomeric SMILES

CC1(CC2=C(CN1CCC(=O)O)C=C(C=C2)NC(=O)COC3CCNCC3)C

InChI

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