2-[(4-bromophenyl)methyl]-4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[(4-bromophenyl)methyl]-4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[(4-bromophenyl)methyl]-4-(3-chloro-2-methyl-anilino)-4-oxo-butanoic acid CAS Name: 2-[(4-bromophenyl)methyl]-4-(3-chloro-2-methylanilino)-4-oxobutanoic acid IUPAC Name: 2-[(4-bromophenyl)methyl]-4-(3-chloro-2-methylanilino)-4-oxobutanoic acid Traditional Name: 2-(4-bromobenzyl)-4-(3-chloro-2-methyl-anilino)-4-keto-butyric acid Formula: C18H17BrClNO3 MolecularWeight: 410.68948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CC(CC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CC(CC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C18H17BrClNO3/c1-11-15(20)3-2-4-16(11)21-17(22)10-13(18(23)24)9-12-5-7-14(19)8-6-12/h2-8,13H,9-10H2,1H3,(H,21,22)(H,23,24)