[1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-benzamidobutanoate

Systemtic Name: [1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-benzamidobutanoate Openeye Name: [2-(5-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-benzamidobutanoate CAS Name: 4-benzamidobutanoic acid [1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 4-benzamidobutanoate Traditional Name: 4-benzamidobutyric acid [2-(5-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)OC(=O)CCCNC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)OC(=O)CCCNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23ClN2O4/c1-14-10-11-17(22)13-18(14)24-20(26)15(2)28-19(25)9-6-12-23-21(27)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15H,6,9,12H2,1-2H3,(H,23,27)(H,24,26)