2-[4-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbonylamino)propanoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbonylamino)propanoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[2-(1,2,3,4-tetrahydroisoquinoline-6-carbonylamino)propanoyl]phenoxy]acetic acid CAS Name: 2-[4-[1-oxo-2-[[oxo(1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]amino]propyl]phenoxy]acetic acid IUPAC Name: 2-[4-[2-(1,2,3,4-tetrahydroisoquinoline-6-carbonylamino)propanoyl]phenoxy]acetic acid Traditional Name: 2-[4-[2-(1,2,3,4-tetrahydroisoquinoline-6-carbonylamino)propanoyl]phenoxy]acetic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OCC(=O)O)NC(=O)C2=CC3=C(CNCC3)C=C2

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OCC(=O)O)NC(=O)C2=CC3=C(CNCC3)C=C2

InChI

InChI=1S/C21H22N2O5/c1-13(20(26)14-4-6-18(7-5-14)28-12-19(24)25)23-21(27)16-2-3-17-11-22-9-8-15(17)10-16/h2-7,10,13,22H,8-9,11-12H2,1H3,(H,23,27)(H,24,25)