6-phenylmethoxy-2-(2-phenylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 6-phenylmethoxy-2-(2-phenylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 6-benzyloxy-2-(2-phenylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 2-(1-oxo-2-phenylpropyl)-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 6-phenylmethoxy-2-(2-phenylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 6-benzoxy-2-hydratropoyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C26H25NO4 MolecularWeight: 415.481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)N2CCC3=C(C2C(=O)O)C=CC(=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)N2CCC3=C(C2C(=O)O)C=CC(=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H25NO4/c1-18(20-10-6-3-7-11-20)25(28)27-15-14-21-16-22(12-13-23(21)24(27)26(29)30)31-17-19-8-4-2-5-9-19/h2-13,16,18,24H,14-15,17H2,1H3,(H,29,30)