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

Systemtic Name: tert-butyl 3-[[3,3-dimethyl-1-oxidanylidene-1-(1-phenylethylamino)butan-2-yl]carbamoyl]-6-(3-methyl-4-phenyl-phenyl)hexanoate Openeye Name: tert-butyl 3-[[2,2-dimethyl-1-(1-phenylethylcarbamoyl)propyl]carbamoyl]-6-(3-methyl-4-phenyl-phenyl)hexanoate CAS Name: 3-[[[3,3-dimethyl-1-oxo-1-(1-phenylethylamino)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-phenylethylamino)butan-2-yl]carbamoyl]-6-(3-methyl-4-phenylphenyl)hexanoate Traditional Name: 3-[[2,2-dimethyl-1-(1-phenylethylcarbamoyl)propyl]carbamoyl]-6-(3-methyl-4-phenyl-phenyl)hexanoic acid tert-butyl ester Formula: C38H50N2O4 MolecularWeight: 598.8146

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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=CC=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=CC=CC=C2)C(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C38H50N2O4/c1-26-24-28(22-23-32(26)30-19-13-10-14-20-30)16-15-21-31(25-33(41)44-38(6,7)8)35(42)40-34(37(3,4)5)36(43)39-27(2)29-17-11-9-12-18-29/h9-14,17-20,22-24,27,31,34H,15-16,21,25H2,1-8H3,(H,39,43)(H,40,42)