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

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(4-acetamido-3-chlorophenyl)-2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxamide Formula: C21H20ClN3O5 MolecularWeight: 429.8536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCOC)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCOC)Cl

InChI

InChI=1S/C21H20ClN3O5/c1-12(26)23-18-7-5-14(11-17(18)22)24-19(27)13-4-6-15-16(10-13)21(29)25(20(15)28)8-3-9-30-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,23,26)(H,24,27)