3-phenylpropyl 4-[(5-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(5-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(5-chloro-2-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-methylanilino)-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(5-chloro-2-methylanilino)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-methyl-anilino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C20H22ClNO3/c1-15-9-10-17(21)14-18(15)22-19(23)11-12-20(24)25-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H,22,23)