2-[(5-chloranylpyridin-2-yl)carbamoyl]-3-[(4-pyrrolidin-1-ylcyclohexyl)carbonylamino]-1-benzofuran-5-carboxylic acid

Systemtic Name: 2-[(5-chloranylpyridin-2-yl)carbamoyl]-3-[(4-pyrrolidin-1-ylcyclohexyl)carbonylamino]-1-benzofuran-5-carboxylic acid Openeye Name: 2-[(5-chloro-2-pyridyl)carbamoyl]-3-[(4-pyrrolidin-1-ylcyclohexanecarbonyl)amino]benzofuran-5-carboxylic acid CAS Name: 2-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-3-[[oxo-[4-(1-pyrrolidinyl)cyclohexyl]methyl]amino]-5-benzofurancarboxylic acid IUPAC Name: 2-[(5-chloropyridin-2-yl)carbamoyl]-3-[(4-pyrrolidin-1-ylcyclohexanecarbonyl)amino]-1-benzofuran-5-carboxylic acid Traditional Name: 2-[(5-chloro-2-pyridyl)carbamoyl]-3-[(4-pyrrolidinocyclohexanecarbonyl)amino]benzofuran-5-carboxylic acid Formula: C26H27ClN4O5 MolecularWeight: 510.96938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCC(CC2)C(=O)NC3=C(OC4=C3C=C(C=C4)C(=O)O)C(=O)NC5=NC=C(C=C5)Cl

Isomeric SMILES

C1CCN(C1)C2CCC(CC2)C(=O)NC3=C(OC4=C3C=C(C=C4)C(=O)O)C(=O)NC5=NC=C(C=C5)Cl

InChI

InChI=1S/C26H27ClN4O5/c27-17-6-10-21(28-14-17)29-25(33)23-22(19-13-16(26(34)35)5-9-20(19)36-23)30-24(32)15-3-7-18(8-4-15)31-11-1-2-12-31/h5-6,9-10,13-15,18H,1-4,7-8,11-12H2,(H,30,32)(H,34,35)(H,28,29,33)