2-[5-[(4-chlorophenyl)methyl]-3-ethoxycarbonyl-2-ethyl-4-methyl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[5-[(4-chlorophenyl)methyl]-3-ethoxycarbonyl-2-ethyl-4-methyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[5-[(4-chlorophenyl)methyl]-3-ethoxycarbonyl-2-ethyl-4-methyl-pyrrol-2-yl]acetic acid CAS Name: 2-[5-[(4-chlorophenyl)methyl]-3-ethoxycarbonyl-2-ethyl-4-methyl-2-pyrrolyl]acetic acid IUPAC Name: 2-[5-[(4-chlorophenyl)methyl]-3-ethoxycarbonyl-2-ethyl-4-methylpyrrol-2-yl]acetic acid Traditional Name: 2-[3-carbethoxy-5-(4-chlorobenzyl)-2-ethyl-4-methyl-pyrrol-2-yl]acetic acid Formula: C19H22ClNO4 MolecularWeight: 363.83528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=C(C(=N1)CC2=CC=C(C=C2)Cl)C)C(=O)OCC)CC(=O)O

Isomeric SMILES

CCC1(C(=C(C(=N1)CC2=CC=C(C=C2)Cl)C)C(=O)OCC)CC(=O)O

InChI

InChI=1S/C19H22ClNO4/c1-4-19(11-16(22)23)17(18(24)25-5-2)12(3)15(21-19)10-13-6-8-14(20)9-7-13/h6-9H,4-5,10-11H2,1-3H3,(H,22,23)