3-[4-[(2-chloranylphenoxy)methyl]-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-chloranylphenoxy)methyl]-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(2-chlorophenoxy)methyl]-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(2-chlorophenoxy)methyl]-2-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-chlorophenoxy)methyl]-2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(2-chlorophenoxy)methyl]-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propionic acid Formula: C30H34ClNO4 MolecularWeight: 508.04826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3Cl)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3Cl)CCC(=O)O)C

InChI

InChI=1S/C30H34ClNO4/c1-19(2)13-27(24-15-20(3)14-21(4)16-24)32-30(35)25-17-22(9-10-23(25)11-12-29(33)34)18-36-28-8-6-5-7-26(28)31/h5-10,14-17,19,27H,11-13,18H2,1-4H3,(H,32,35)(H,33,34)