piperidin-4-yl 5-chloranyl-3-(1-imidazol-1-ylethyl)-4-(methylamino)-2-oxidanylidene-3-propan-2-yl-1-benzofuran-7-carboxylate

Systemtic Name: piperidin-4-yl 5-chloranyl-3-(1-imidazol-1-ylethyl)-4-(methylamino)-2-oxidanylidene-3-propan-2-yl-1-benzofuran-7-carboxylate Openeye Name: 4-piperidyl 5-chloro-3-(1-imidazol-1-ylethyl)-3-isopropyl-4-(methylamino)-2-oxo-benzofuran-7-carboxylate CAS Name: 5-chloro-3-[1-(1-imidazolyl)ethyl]-4-(methylamino)-2-oxo-3-propan-2-yl-7-benzofurancarboxylic acid 4-piperidinyl ester IUPAC Name: piperidin-4-yl 5-chloro-3-(1-imidazol-1-ylethyl)-4-(methylamino)-2-oxo-3-propan-2-yl-1-benzofuran-7-carboxylate Traditional Name: 5-chloro-3-(1-imidazol-1-ylethyl)-3-isopropyl-2-keto-4-(methylamino)coumaran-7-carboxylic acid 4-piperidyl ester Formula: C23H29ClN4O4 MolecularWeight: 460.95376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C2=C(C(=CC(=C2NC)Cl)C(=O)OC3CCNCC3)OC1=O)C(C)N4C=CN=C4

Isomeric SMILES

CC(C)C1(C2=C(C(=CC(=C2NC)Cl)C(=O)OC3CCNCC3)OC1=O)C(C)N4C=CN=C4

InChI

InChI=1S/C23H29ClN4O4/c1-13(2)23(14(3)28-10-9-27-12-28)18-19(25-4)17(24)11-16(20(18)32-22(23)30)21(29)31-15-5-7-26-8-6-15/h9-15,25-26H,5-8H2,1-4H3