(3R,4R)-N-(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)-N-(2-hydroxyethyl)-1-oxidanylidene-3-phenyl-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: (3R,4R)-N-(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)-N-(2-hydroxyethyl)-1-oxidanylidene-3-phenyl-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: (3R,4R)-N-(5,5-dimethyl-3-oxo-cyclohexen-1-yl)-N-(2-hydroxyethyl)-2-isopropyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide CAS Name: (3R,4R)-N-(5,5-dimethyl-3-oxo-1-cyclohexenyl)-N-(2-hydroxyethyl)-1-oxo-3-phenyl-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: (3R,4R)-N-(5,5-dimethyl-3-oxocyclohexen-1-yl)-N-(2-hydroxyethyl)-1-oxo-3-phenyl-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: (3R,4R)-N-(2-hydroxyethyl)-2-isopropyl-1-keto-N-(3-keto-5,5-dimethyl-cyclohexen-1-yl)-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide Formula: C29H34N2O4 MolecularWeight: 474.59126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(C(C2=CC=CC=C2C1=O)C(=O)N(CCO)C3=CC(=O)CC(C3)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1[C@H]([C@@H](C2=CC=CC=C2C1=O)C(=O)N(CCO)C3=CC(=O)CC(C3)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C29H34N2O4/c1-19(2)31-26(20-10-6-5-7-11-20)25(23-12-8-9-13-24(23)27(31)34)28(35)30(14-15-32)21-16-22(33)18-29(3,4)17-21/h5-13,16,19,25-26,32H,14-15,17-18H2,1-4H3/t25-,26+/m1/s1