2-adamantyl-[2-methyl-1-oxidanylidene-1-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]-3-quinolin-4-yl-propan-2-yl]carbamic acid

Systemtic Name: 2-adamantyl-[2-methyl-1-oxidanylidene-1-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]-3-quinolin-4-yl-propan-2-yl]carbamic acid Openeye Name: 2-adamantyl-[2-[(1-benzyl-2-hydroxy-ethyl)amino]-1-methyl-2-oxo-1-(4-quinolylmethyl)ethyl]carbamic acid CAS Name: 2-adamantyl-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methyl-1-oxo-3-(4-quinolinyl)propan-2-yl]carbamic acid IUPAC Name: 2-adamantyl-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methyl-1-oxo-3-quinolin-4-ylpropan-2-yl]carbamic acid Traditional Name: 2-adamantyl-[2-[(1-benzyl-2-hydroxy-ethyl)amino]-2-keto-1-methyl-1-(4-quinolylmethyl)ethyl]carbamic acid Formula: C33H39N3O4 MolecularWeight: 541.68046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=NC2=CC=CC=C12)(C(=O)NC(CC3=CC=CC=C3)CO)N(C4C5CC6CC(C5)CC4C6)C(=O)O

Isomeric SMILES

CC(CC1=CC=NC2=CC=CC=C12)(C(=O)NC(CC3=CC=CC=C3)CO)N(C4C5CC6CC(C5)CC4C6)C(=O)O

InChI

InChI=1S/C33H39N3O4/c1-33(19-24-11-12-34-29-10-6-5-9-28(24)29,31(38)35-27(20-37)18-21-7-3-2-4-8-21)36(32(39)40)30-25-14-22-13-23(16-25)17-26(30)15-22/h2-12,22-23,25-27,30,37H,13-20H2,1H3,(H,35,38)(H,39,40)