tert-butyl 3-[[3,3-dimethyl-1-oxidanylidene-1-(1-pyridin-3-ylethylamino)butan-2-yl]carbamoyl]-6-(3-methyl-4-phenyl-phenyl)hexanoate

Systemtic Name: tert-butyl 3-[[3,3-dimethyl-1-oxidanylidene-1-(1-pyridin-3-ylethylamino)butan-2-yl]carbamoyl]-6-(3-methyl-4-phenyl-phenyl)hexanoate Openeye Name: tert-butyl 3-[[2,2-dimethyl-1-[1-(3-pyridyl)ethylcarbamoyl]propyl]carbamoyl]-6-(3-methyl-4-phenyl-phenyl)hexanoate CAS Name: 3-[[[3,3-dimethyl-1-oxo-1-[1-(3-pyridinyl)ethylamino]butan-2-yl]amino]-oxomethyl]-6-(3-methyl-4-phenylphenyl)hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3,3-dimethyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]carbamoyl]-6-(3-methyl-4-phenylphenyl)hexanoate Traditional Name: 3-[[2,2-dimethyl-1-[1-(3-pyridyl)ethylcarbamoyl]propyl]carbamoyl]-6-(3-methyl-4-phenyl-phenyl)hexanoic acid tert-butyl ester Formula: C37H49N3O4 MolecularWeight: 599.80266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCCC(CC(=O)OC(C)(C)C)C(=O)NC(C(=O)NC(C)C2=CN=CC=C2)C(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)CCCC(CC(=O)OC(C)(C)C)C(=O)NC(C(=O)NC(C)C2=CN=CC=C2)C(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C37H49N3O4/c1-25-22-27(19-20-31(25)28-15-10-9-11-16-28)14-12-17-29(23-32(41)44-37(6,7)8)34(42)40-33(36(3,4)5)35(43)39-26(2)30-18-13-21-38-24-30/h9-11,13,15-16,18-22,24,26,29,33H,12,14,17,23H2,1-8H3,(H,39,43)(H,40,42)