N-(3-chloranyl-4-methoxy-phenyl)-2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-isopentyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-isoamyl-1,3-diketo-isoindoline-5-carboxamide Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H21ClN2O4/c1-12(2)8-9-24-20(26)15-6-4-13(10-16(15)21(24)27)19(25)23-14-5-7-18(28-3)17(22)11-14/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)