phenethyl 4-[[5-(butanoylamino)-2-chloranyl-phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[5-(butanoylamino)-2-chloranyl-phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[5-(butanoylamino)-2-chloro-anilino]-4-oxo-butanoate CAS Name: 4-[2-chloro-5-(1-oxobutylamino)anilino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[5-(butanoylamino)-2-chloroanilino]-4-oxobutanoate Traditional Name: 4-(5-butyramido-2-chloro-anilino)-4-keto-butyric acid phenethyl ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C22H25ClN2O4/c1-2-6-20(26)24-17-9-10-18(23)19(15-17)25-21(27)11-12-22(28)29-14-13-16-7-4-3-5-8-16/h3-5,7-10,15H,2,6,11-14H2,1H3,(H,24,26)(H,25,27)