2-[(2-methyloxolan-2-yl)carbonylamino]-3-[4-(pyrrolidin-1-ylcarbonyloxymethyl)phenyl]propanoic acid

Systemtic Name: 2-[(2-methyloxolan-2-yl)carbonylamino]-3-[4-(pyrrolidin-1-ylcarbonyloxymethyl)phenyl]propanoic acid Openeye Name: 2-[(2-methyltetrahydrofuran-2-carbonyl)amino]-3-[4-(pyrrolidine-1-carbonyloxymethyl)phenyl]propanoic acid CAS Name: 2-[[(2-methyl-2-oxolanyl)-oxomethyl]amino]-3-[4-[[oxo(1-pyrrolidinyl)methoxy]methyl]phenyl]propanoic acid IUPAC Name: 2-[(2-methyloxolane-2-carbonyl)amino]-3-[4-(pyrrolidine-1-carbonyloxymethyl)phenyl]propanoic acid Traditional Name: 2-[(2-methyltetrahydrofuran-2-carbonyl)amino]-3-[4-(pyrrolidine-1-carbonyloxymethyl)phenyl]propionic acid Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCO1)C(=O)NC(CC2=CC=C(C=C2)COC(=O)N3CCCC3)C(=O)O

Isomeric SMILES

CC1(CCCO1)C(=O)NC(CC2=CC=C(C=C2)COC(=O)N3CCCC3)C(=O)O

InChI

InChI=1S/C21H28N2O6/c1-21(9-4-12-29-21)19(26)22-17(18(24)25)13-15-5-7-16(8-6-15)14-28-20(27)23-10-2-3-11-23/h5-8,17H,2-4,9-14H2,1H3,(H,22,26)(H,24,25)