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

Systemtic Name: 3-[2-methoxyethoxycarbonyl(phenethyl)carbamoyl]-5-methyl-2-prop-2-enyl-hexanoic acid Openeye Name: 2-allyl-3-[2-methoxyethoxycarbonyl(phenethyl)carbamoyl]-5-methyl-hexanoic acid CAS Name: 3-[[[2-methoxyethoxy(oxo)methyl]-phenethylamino]-oxomethyl]-5-methyl-2-prop-2-enylhexanoic acid IUPAC Name: 3-[2-methoxyethoxycarbonyl(phenethyl)carbamoyl]-5-methyl-2-prop-2-enylhexanoic acid Traditional Name: 2-[1-[2-methoxyethoxycarbonyl(phenethyl)carbamoyl]-3-methyl-butyl]pent-4-enoic acid Formula: C23H33NO6 MolecularWeight: 419.51122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO6/c1-5-9-19(22(26)27)20(16-17(2)3)21(25)24(23(28)30-15-14-29-4)13-12-18-10-7-6-8-11-18/h5-8,10-11,17,19-20H,1,9,12-16H2,2-4H3,(H,26,27)