3-[[3,3-dimethyl-1-oxidanylidene-1-(1-phenylethylamino)butan-2-yl]carbamoyl]-6-(3-methyl-4-phenoxy-phenyl)hexanoic acid

Systemtic Name: 3-[[3,3-dimethyl-1-oxidanylidene-1-(1-phenylethylamino)butan-2-yl]carbamoyl]-6-(3-methyl-4-phenoxy-phenyl)hexanoic acid Openeye Name: 3-[[2,2-dimethyl-1-(1-phenylethylcarbamoyl)propyl]carbamoyl]-6-(3-methyl-4-phenoxy-phenyl)hexanoic acid CAS Name: 3-[[[3,3-dimethyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]amino]-oxomethyl]-6-(3-methyl-4-phenoxyphenyl)hexanoic acid IUPAC Name: 3-[[3,3-dimethyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]carbamoyl]-6-(3-methyl-4-phenoxyphenyl)hexanoic acid Traditional Name: 3-[[2,2-dimethyl-1-(1-phenylethylcarbamoyl)propyl]carbamoyl]-6-(3-methyl-4-phenoxy-phenyl)hexanoic acid Formula: C34H42N2O5 MolecularWeight: 558.70768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCCC(CC(=O)O)C(=O)NC(C(=O)NC(C)C2=CC=CC=C2)C(C)(C)C)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)CCCC(CC(=O)O)C(=O)NC(C(=O)NC(C)C2=CC=CC=C2)C(C)(C)C)OC3=CC=CC=C3

InChI

InChI=1S/C34H42N2O5/c1-23-21-25(19-20-29(23)41-28-17-10-7-11-18-28)13-12-16-27(22-30(37)38)32(39)36-31(34(3,4)5)33(40)35-24(2)26-14-8-6-9-15-26/h6-11,14-15,17-21,24,27,31H,12-13,16,22H2,1-5H3,(H,35,40)(H,36,39)(H,37,38)