2-(2-cyclopentyl-2-phenyl-ethanoyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2-cyclopentyl-2-phenyl-ethanoyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 5-benzyloxy-2-(2-cyclopentyl-2-phenyl-acetyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(2-cyclopentyl-1-oxo-2-phenylethyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2-cyclopentyl-2-phenylacetyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 5-benzoxy-2-(2-cyclopentyl-2-phenyl-acetyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C31H33NO5 MolecularWeight: 499.59742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CN(C(C2)C(=O)O)C(=O)C(C3CCCC3)C4=CC=CC=C4)C=C1)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C2=C(CN(C(C2)C(=O)O)C(=O)C(C3CCCC3)C4=CC=CC=C4)C=C1)OCC5=CC=CC=C5

InChI

InChI=1S/C31H33NO5/c1-36-27-17-16-24-19-32(30(33)28(23-14-8-9-15-23)22-12-6-3-7-13-22)26(31(34)35)18-25(24)29(27)37-20-21-10-4-2-5-11-21/h2-7,10-13,16-17,23,26,28H,8-9,14-15,18-20H2,1H3,(H,34,35)