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

Systemtic Name: 4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-3-(phenylmethyl)butanoic acid Openeye Name: 3-benzyl-4-(3-chloro-2-methyl-anilino)-4-oxo-butanoic acid CAS Name: 4-(3-chloro-2-methylanilino)-4-oxo-3-(phenylmethyl)butanoic acid IUPAC Name: 3-benzyl-4-(3-chloro-2-methylanilino)-4-oxobutanoic acid Traditional Name: 3-benzyl-4-(3-chloro-2-methyl-anilino)-4-keto-butyric acid Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO3/c1-12-15(19)8-5-9-16(12)20-18(23)14(11-17(21)22)10-13-6-3-2-4-7-13/h2-9,14H,10-11H2,1H3,(H,20,23)(H,21,22)