5-[(5-chloranyl-2-methoxy-phenyl)carbonyl-(pyrrolidin-2-ylmethyl)amino]-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: 5-[(5-chloranyl-2-methoxy-phenyl)carbonyl-(pyrrolidin-2-ylmethyl)amino]-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: 5-[(5-chloro-2-methoxy-benzoyl)-(pyrrolidin-2-ylmethyl)amino]-N-(pyrrolidin-2-ylmethyl)-2,3-dihydrobenzofuran-7-carboxamide CAS Name: 5-[[(5-chloro-2-methoxyphenyl)-oxomethyl]-(2-pyrrolidinylmethyl)amino]-N-(2-pyrrolidinylmethyl)-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: 5-[(5-chloro-2-methoxybenzoyl)-(pyrrolidin-2-ylmethyl)amino]-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: 5-[(5-chloro-2-methoxy-benzoyl)-(pyrrolidin-2-ylmethyl)amino]-N-(pyrrolidin-2-ylmethyl)coumaran-7-carboxamide Formula: C27H33ClN4O4 MolecularWeight: 513.02832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)N(CC2CCCN2)C3=CC4=C(C(=C3)C(=O)NCC5CCCN5)OCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N(CC2CCCN2)C3=CC4=C(C(=C3)C(=O)NCC5CCCN5)OCC4

InChI

InChI=1S/C27H33ClN4O4/c1-35-24-7-6-18(28)13-22(24)27(34)32(16-20-5-3-10-30-20)21-12-17-8-11-36-25(17)23(14-21)26(33)31-15-19-4-2-9-29-19/h6-7,12-14,19-20,29-30H,2-5,8-11,15-16H2,1H3,(H,31,33)