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

Systemtic Name: 3-[2-butyl-4-[(2-chlorophenyl)methyl]-3-ethyl-phenyl]-2-(methylamino)propanoic acid Openeye Name: 3-[2-butyl-4-[(2-chlorophenyl)methyl]-3-ethyl-phenyl]-2-(methylamino)propanoic acid CAS Name: 3-[2-butyl-4-[(2-chlorophenyl)methyl]-3-ethylphenyl]-2-(methylamino)propanoic acid IUPAC Name: 3-[2-butyl-4-[(2-chlorophenyl)methyl]-3-ethylphenyl]-2-(methylamino)propanoic acid Traditional Name: 3-[2-butyl-4-(2-chlorobenzyl)-3-ethyl-phenyl]-2-(methylamino)propionic acid Formula: C23H30ClNO2 MolecularWeight: 387.9428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1CC)CC2=CC=CC=C2Cl)CC(C(=O)O)NC

Isomeric SMILES

CCCCC1=C(C=CC(=C1CC)CC2=CC=CC=C2Cl)CC(C(=O)O)NC

InChI

InChI=1S/C23H30ClNO2/c1-4-6-10-20-17(15-22(25-3)23(26)27)13-12-16(19(20)5-2)14-18-9-7-8-11-21(18)24/h7-9,11-13,22,25H,4-6,10,14-15H2,1-3H3,(H,26,27)