(3R,4R)-2-(cyclopropylmethyl)-1-oxidanylidene-3-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3R,4R)-2-(cyclopropylmethyl)-1-oxidanylidene-3-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3R,4R)-2-(cyclopropylmethyl)-1-oxo-3-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3R,4R)-2-(cyclopropylmethyl)-1-oxo-3-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3R,4R)-2-(cyclopropylmethyl)-1-oxo-3-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3R,4R)-2-(cyclopropylmethyl)-1-keto-3-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C26H23NO4 MolecularWeight: 413.46512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CC1CN2[C@H]([C@@H](C3=CC=CC=C3C2=O)C(=O)O)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C26H23NO4/c28-25-22-9-5-4-8-21(22)23(26(29)30)24(27(25)16-17-10-11-17)18-12-14-20(15-13-18)31-19-6-2-1-3-7-19/h1-9,12-15,17,23-24H,10-11,16H2,(H,29,30)/t23-,24+/m1/s1