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

Systemtic Name: 3-phenylpropyl 4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(3-chloro-2-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(3-chloro-2-methylanilino)-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(3-chloro-2-methylanilino)-4-oxobutanoate Traditional Name: 4-(3-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=CC=C1Cl)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

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