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

Systemtic Name: 3-[2-methoxyethoxycarbonyl(phenethyl)carbamoyl]-5-methyl-2-methylidene-hexanoic acid Openeye Name: 3-[2-methoxyethoxycarbonyl(phenethyl)carbamoyl]-5-methyl-2-methylene-hexanoic acid CAS Name: 3-[[[2-methoxyethoxy(oxo)methyl]-phenethylamino]-oxomethyl]-5-methyl-2-methylenehexanoic acid IUPAC Name: 3-[2-methoxyethoxycarbonyl(phenethyl)carbamoyl]-5-methyl-2-methylidenehexanoic acid Traditional Name: 2-[1-[2-methoxyethoxycarbonyl(phenethyl)carbamoyl]-3-methyl-butyl]acrylic acid Formula: C21H29NO6 MolecularWeight: 391.45806

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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)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO6/c1-15(2)14-18(16(3)20(24)25)19(23)22(21(26)28-13-12-27-4)11-10-17-8-6-5-7-9-17/h5-9,15,18H,3,10-14H2,1-2,4H3,(H,24,25)