[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-methyl-phenoxy)butanoate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-methyl-phenoxy)butanoate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)anilino)-2-oxo-ethyl] 4-(4-chloro-2-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-2-methylphenoxy)butanoic acid [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-(4-chloro-2-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-2-methyl-phenoxy)butyric acid [2-(N-(3-amino-3-keto-propyl)anilino)-2-keto-ethyl] ester Formula: C22H25ClN2O5 MolecularWeight: 432.8973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C22H25ClN2O5/c1-16-14-17(23)9-10-19(16)29-13-5-8-22(28)30-15-21(27)25(12-11-20(24)26)18-6-3-2-4-7-18/h2-4,6-7,9-10,14H,5,8,11-13,15H2,1H3,(H2,24,26)