4-[[4-(4-chloranyl-3-methyl-phenoxy)phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-(4-chloranyl-3-methyl-phenoxy)phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-(4-chloro-3-methyl-phenoxy)phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[4-(4-chloro-3-methylphenoxy)phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[4-(4-chloro-3-methylphenoxy)phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[4-(4-chloro-3-methyl-phenoxy)benzyl]amino]-4-keto-butyrate Formula: C18H17ClNO4- MolecularWeight: 346.78488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC=C(C=C2)CNC(=O)CCC(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC=C(C=C2)CNC(=O)CCC(=O)[O-])Cl

InChI

InChI=1S/C18H18ClNO4/c1-12-10-15(6-7-16(12)19)24-14-4-2-13(3-5-14)11-20-17(21)8-9-18(22)23/h2-7,10H,8-9,11H2,1H3,(H,20,21)(H,22,23)/p-1