2-(5-methyl-2-propan-2-yl-phenoxy)-1-[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Systemtic Name: 2-(5-methyl-2-propan-2-yl-phenoxy)-1-[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Openeye Name: 2-(2-isopropyl-5-methyl-phenoxy)-1-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)-1-[(3S)-3-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone IUPAC Name: 2-(5-methyl-2-propan-2-ylphenoxy)-1-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)-1-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N4CCCC4

InChI

InChI=1S/C26H32N2O3/c1-18(2)22-11-10-19(3)14-24(22)31-17-25(29)28-16-21-9-5-4-8-20(21)15-23(28)26(30)27-12-6-7-13-27/h4-5,8-11,14,18,23H,6-7,12-13,15-17H2,1-3H3/t23-/m0/s1