4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid 4-phthalimidobutyl ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C25H28N2O5/c1-16(2)21(26-22(28)18-10-8-9-17(3)15-18)25(31)32-14-7-6-13-27-23(29)19-11-4-5-12-20(19)24(27)30/h4-5,8-12,15-16,21H,6-7,13-14H2,1-3H3,(H,26,28)