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

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

C1CN(C(C2=CC=CC=C21)CNCC(CC3=CC=CC=C3)O)C(=O)O

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CNCC(CC3=CC=CC=C3)O)C(=O)O

InChI

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