3-[4-[2-(4-ethyl-3-methyl-5-oxidanylidene-2H-pyrrol-1-yl)ethoxy]phenyl]-2-(propan-2-ylamino)propanoic acid

Systemtic Name: 3-[4-[2-(4-ethyl-3-methyl-5-oxidanylidene-2H-pyrrol-1-yl)ethoxy]phenyl]-2-(propan-2-ylamino)propanoic acid Openeye Name: 3-[4-[2-(4-ethyl-3-methyl-5-oxo-2H-pyrrol-1-yl)ethoxy]phenyl]-2-(isopropylamino)propanoic acid CAS Name: 3-[4-[2-(4-ethyl-3-methyl-5-oxo-2H-pyrrol-1-yl)ethoxy]phenyl]-2-(propan-2-ylamino)propanoic acid IUPAC Name: 3-[4-[2-(4-ethyl-3-methyl-5-oxo-2H-pyrrol-1-yl)ethoxy]phenyl]-2-(propan-2-ylamino)propanoic acid Traditional Name: 3-[4-[2-(3-ethyl-2-keto-4-methyl-3-pyrrolin-1-yl)ethoxy]phenyl]-2-(isopropylamino)propionic acid Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(CN(C1=O)CCOC2=CC=C(C=C2)CC(C(=O)O)NC(C)C)C

Isomeric SMILES

CCC1=C(CN(C1=O)CCOC2=CC=C(C=C2)CC(C(=O)O)NC(C)C)C

InChI

InChI=1S/C21H30N2O4/c1-5-18-15(4)13-23(20(18)24)10-11-27-17-8-6-16(7-9-17)12-19(21(25)26)22-14(2)3/h6-9,14,19,22H,5,10-13H2,1-4H3,(H,25,26)