5-[4-[(3-carboxyphenyl)methyl]piperazin-1-yl]-4-chloranyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[4-[(3-carboxyphenyl)methyl]piperazin-1-yl]-4-chloranyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-[4-[(3-carboxyphenyl)methyl]piperazin-1-yl]-4-chloro-benzofuran-2-carboxylic acid CAS Name: 5-[4-[(3-carboxyphenyl)methyl]-1-piperazinyl]-4-chloro-2-benzofurancarboxylic acid IUPAC Name: 5-[4-[(3-carboxyphenyl)methyl]piperazin-1-yl]-4-chloro-1-benzofuran-2-carboxylic acid Traditional Name: 5-[4-(3-carboxybenzyl)piperazino]-4-chloro-coumarilic acid Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C(=O)O)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C(=O)O)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Cl

InChI

InChI=1S/C21H19ClN2O5/c22-19-15-11-18(21(27)28)29-17(15)5-4-16(19)24-8-6-23(7-9-24)12-13-2-1-3-14(10-13)20(25)26/h1-5,10-11H,6-9,12H2,(H,25,26)(H,27,28)