(3S)-5-(phenylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: (3S)-5-(phenylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: (3S)-5-benzyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: (3S)-5-(phenylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: (3S)-5-benzyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: (3S)-5-benzyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C17H17NO2 MolecularWeight: 267.32238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C1C(=CC=C2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1[C@H](NCC2=C1C(=CC=C2)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H17NO2/c19-17(20)16-10-15-13(7-4-8-14(15)11-18-16)9-12-5-2-1-3-6-12/h1-8,16,18H,9-11H2,(H,19,20)/t16-/m0/s1