(3R,4R)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3R,4R)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3R,4R)-3-(4-benzyloxyphenyl)-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3R,4R)-1-oxo-3-(4-phenylmethoxyphenyl)-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3R,4R)-1-oxo-3-(4-phenylmethoxyphenyl)-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3R,4R)-3-(4-benzoxyphenyl)-1-keto-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C26H25NO4 MolecularWeight: 415.481

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCN1[C@H]([C@@H](C2=CC=CC=C2C1=O)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H25NO4/c1-2-16-27-24(23(26(29)30)21-10-6-7-11-22(21)25(27)28)19-12-14-20(15-13-19)31-17-18-8-4-3-5-9-18/h3-15,23-24H,2,16-17H2,1H3,(H,29,30)/t23-,24+/m1/s1