3-[(5-chloranylpyridin-2-yl)carbamoyl]-4-[(1-propan-2-ylpiperidin-4-yl)methylamino]benzoic acid

Systemtic Name: 3-[(5-chloranylpyridin-2-yl)carbamoyl]-4-[(1-propan-2-ylpiperidin-4-yl)methylamino]benzoic acid Openeye Name: 3-[(5-chloro-2-pyridyl)carbamoyl]-4-[(1-isopropyl-4-piperidyl)methylamino]benzoic acid CAS Name: 3-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-4-[(1-propan-2-yl-4-piperidinyl)methylamino]benzoic acid IUPAC Name: 3-[(5-chloropyridin-2-yl)carbamoyl]-4-[(1-propan-2-ylpiperidin-4-yl)methylamino]benzoic acid Traditional Name: 3-[(5-chloro-2-pyridyl)carbamoyl]-4-[(1-isopropyl-4-piperidyl)methylamino]benzoic acid Formula: C22H27ClN4O3 MolecularWeight: 430.92778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)CNC2=C(C=C(C=C2)C(=O)O)C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC(C)N1CCC(CC1)CNC2=C(C=C(C=C2)C(=O)O)C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN4O3/c1-14(2)27-9-7-15(8-10-27)12-24-19-5-3-16(22(29)30)11-18(19)21(28)26-20-6-4-17(23)13-25-20/h3-6,11,13-15,24H,7-10,12H2,1-2H3,(H,29,30)(H,25,26,28)