5-methyl-2-methylidene-3-[phenethyl(propan-2-yloxycarbonyl)carbamoyl]hexanoic acid

Systemtic Name: 5-methyl-2-methylidene-3-[phenethyl(propan-2-yloxycarbonyl)carbamoyl]hexanoic acid Openeye Name: 3-[isopropoxycarbonyl(phenethyl)carbamoyl]-5-methyl-2-methylene-hexanoic acid CAS Name: 5-methyl-2-methylene-3-[oxo-[[oxo(propan-2-yloxy)methyl]-phenethylamino]methyl]hexanoic acid IUPAC Name: 5-methyl-2-methylidene-3-[phenethyl(propan-2-yloxycarbonyl)carbamoyl]hexanoic acid Traditional Name: 2-[1-[isopropoxycarbonyl(phenethyl)carbamoyl]-3-methyl-butyl]acrylic acid Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=C)C(=O)O)C(=O)N(CCC1=CC=CC=C1)C(=O)OC(C)C

Isomeric SMILES

CC(C)CC(C(=C)C(=O)O)C(=O)N(CCC1=CC=CC=C1)C(=O)OC(C)C

InChI

InChI=1S/C21H29NO5/c1-14(2)13-18(16(5)20(24)25)19(23)22(21(26)27-15(3)4)12-11-17-9-7-6-8-10-17/h6-10,14-15,18H,5,11-13H2,1-4H3,(H,24,25)