2-[(4-cyanophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(4-cyanophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[(4-cyanophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(4-cyanophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[(4-cyanophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(4-cyanobenzyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H16N2O2 MolecularWeight: 292.33184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O2/c19-10-13-5-7-14(8-6-13)11-20-12-16-4-2-1-3-15(16)9-17(20)18(21)22/h1-8,17H,9,11-12H2,(H,21,22)