3-[[5-chloranyl-2-oxidanyl-3-(phenylmethyl)phenyl]carbamoylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-[[5-chloranyl-2-oxidanyl-3-(phenylmethyl)phenyl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[(3-benzyl-5-chloro-2-hydroxy-phenyl)carbamoylamino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[5-chloro-2-hydroxy-3-(phenylmethyl)anilino]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[(3-benzyl-5-chloro-2-hydroxyphenyl)carbamoylamino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[(3-benzyl-5-chloro-2-hydroxy-phenyl)carbamoylamino]-3-(p-tolyl)propionic acid Formula: C24H23ClN2O4 MolecularWeight: 438.90342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=C(C(=CC(=C2)Cl)CC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=C(C(=CC(=C2)Cl)CC3=CC=CC=C3)O

InChI

InChI=1S/C24H23ClN2O4/c1-15-7-9-17(10-8-15)20(14-22(28)29)26-24(31)27-21-13-19(25)12-18(23(21)30)11-16-5-3-2-4-6-16/h2-10,12-13,20,30H,11,14H2,1H3,(H,28,29)(H2,26,27,31)