3-[[(2-oxidanyl-3-phenyl-propyl)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 3-[[(2-oxidanyl-3-phenyl-propyl)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 3-[[(2-hydroxy-3-phenyl-propyl)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 3-[[(2-hydroxy-3-phenyl-propyl)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)O)CNCC(CC3=CC=CC=C3)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)O)CNCC(CC3=CC=CC=C3)O

InChI

InChI=1S/C20H24N2O3/c23-19(10-15-6-2-1-3-7-15)13-21-12-18-11-16-8-4-5-9-17(16)14-22(18)20(24)25/h1-9,18-19,21,23H,10-14H2,(H,24,25)