3-[2-butyl-4-[(2-chlorophenyl)methyl]-3-ethyl-phenyl]-2-phenylazanyl-propanoic acid

Systemtic Name: 3-[2-butyl-4-[(2-chlorophenyl)methyl]-3-ethyl-phenyl]-2-phenylazanyl-propanoic acid Openeye Name: 2-anilino-3-[2-butyl-4-[(2-chlorophenyl)methyl]-3-ethyl-phenyl]propanoic acid CAS Name: 2-anilino-3-[2-butyl-4-[(2-chlorophenyl)methyl]-3-ethylphenyl]propanoic acid IUPAC Name: 2-anilino-3-[2-butyl-4-[(2-chlorophenyl)methyl]-3-ethylphenyl]propanoic acid Traditional Name: 2-anilino-3-[2-butyl-4-(2-chlorobenzyl)-3-ethyl-phenyl]propionic acid Formula: C28H32ClNO2 MolecularWeight: 450.01218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1CC)CC2=CC=CC=C2Cl)CC(C(=O)O)NC3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(C=CC(=C1CC)CC2=CC=CC=C2Cl)CC(C(=O)O)NC3=CC=CC=C3

InChI

InChI=1S/C28H32ClNO2/c1-3-5-14-25-21(19-27(28(31)32)30-23-12-7-6-8-13-23)17-16-20(24(25)4-2)18-22-11-9-10-15-26(22)29/h6-13,15-17,27,30H,3-5,14,18-19H2,1-2H3,(H,31,32)