2-[(4-chloranyl-1-methyl-pyrrol-2-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[(4-chloranyl-1-methyl-pyrrol-2-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[(4-chloro-1-methyl-pyrrole-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[(4-chloro-1-methyl-2-pyrrolyl)-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[(4-chloro-1-methyl-pyrrole-2-carbonyl)amino]-3-(4-hydroxyphenyl)propionic acid Formula: C15H15ClN2O4 MolecularWeight: 322.7436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)Cl

Isomeric SMILES

CN1C=C(C=C1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)Cl

InChI

InChI=1S/C15H15ClN2O4/c1-18-8-10(16)7-13(18)14(20)17-12(15(21)22)6-9-2-4-11(19)5-3-9/h2-5,7-8,12,19H,6H2,1H3,(H,17,20)(H,21,22)