but-2-enedioic acid; N-(2-chloranyl-6-methyl-phenyl)-2-pyrrolidin-1-yl-ethanamide

Systemtic Name: but-2-enedioic acid; N-(2-chloranyl-6-methyl-phenyl)-2-pyrrolidin-1-yl-ethanamide Openeye Name: but-2-enedioic acid; N-(2-chloro-6-methyl-phenyl)-2-pyrrolidin-1-yl-acetamide CAS Name: but-2-enedioic acid; N-(2-chloro-6-methylphenyl)-2-(1-pyrrolidinyl)acetamide IUPAC Name: but-2-enedioic acid; N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide Traditional Name: but-2-enedioic acid; N-(2-chloro-6-methyl-phenyl)-2-pyrrolidino-acetamide Formula: C17H21ClN2O5 MolecularWeight: 368.81204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)CN2CCCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)CN2CCCC2.C(=CC(=O)O)C(=O)O

InChI

InChI=1S/C13H17ClN2O.C4H4O4/c1-10-5-4-6-11(14)13(10)15-12(17)9-16-7-2-3-8-16;5-3(6)1-2-4(7)8/h4-6H,2-3,7-9H2,1H3,(H,15,17);1-2H,(H,5,6)(H,7,8)