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

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

CC(CC(=O)O)N1CCC2=C(C1)C=C(C=C2)NC(=O)COC3CCNCC3

Isomeric SMILES

CC(CC(=O)O)N1CCC2=C(C1)C=C(C=C2)NC(=O)COC3CCNCC3

InChI

InChI=1S/C20H29N3O4/c1-14(10-20(25)26)23-9-6-15-2-3-17(11-16(15)12-23)22-19(24)13-27-18-4-7-21-8-5-18/h2-3,11,14,18,21H,4-10,12-13H2,1H3,(H,22,24)(H,25,26)