(3S,4R)-2-cyclohexyl-3-[4-(diethylamino)phenyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4R)-2-cyclohexyl-3-[4-(diethylamino)phenyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-2-cyclohexyl-3-[4-(diethylamino)phenyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-2-cyclohexyl-3-[4-(diethylamino)phenyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-2-cyclohexyl-3-[4-(diethylamino)phenyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-2-cyclohexyl-3-[4-(diethylamino)phenyl]-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)[C@@H]2[C@@H](C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)O

InChI

InChI=1S/C26H32N2O3/c1-3-27(4-2)19-16-14-18(15-17-19)24-23(26(30)31)21-12-8-9-13-22(21)25(29)28(24)20-10-6-5-7-11-20/h8-9,12-17,20,23-24H,3-7,10-11H2,1-2H3,(H,30,31)/t23-,24-/m1/s1