(3R,4R)-3-[4-(4-methylcyclohexyl)oxyphenyl]-1-oxidanylidene-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3R,4R)-3-[4-(4-methylcyclohexyl)oxyphenyl]-1-oxidanylidene-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3R,4R)-3-[4-(4-methylcyclohexoxy)phenyl]-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3R,4R)-3-[4-(4-methylcyclohexyl)oxyphenyl]-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3R,4R)-3-[4-(4-methylcyclohexyl)oxyphenyl]-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3R,4R)-1-keto-3-[4-(4-methylcyclohexoxy)phenyl]-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C26H31NO4 MolecularWeight: 421.52864

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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)OC4CCC(CC4)C

Isomeric SMILES

CCCN1[C@H]([C@@H](C2=CC=CC=C2C1=O)C(=O)O)C3=CC=C(C=C3)OC4CCC(CC4)C

InChI

InChI=1S/C26H31NO4/c1-3-16-27-24(23(26(29)30)21-6-4-5-7-22(21)25(27)28)18-10-14-20(15-11-18)31-19-12-8-17(2)9-13-19/h4-7,10-11,14-15,17,19,23-24H,3,8-9,12-13,16H2,1-2H3,(H,29,30)/t17?,19?,23-,24+/m1/s1