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

Systemtic Name: 3-[4-[(4-chloranyl-2-methoxy-phenyl)methoxy]-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(4-chloro-2-methoxy-phenyl)methoxy]-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(4-chloro-2-methoxyphenyl)methoxy]-2-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(4-chloro-2-methoxyphenyl)methoxy]-2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-(4-chloro-2-methoxy-benzyl)oxy-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propionic acid Formula: C31H36ClNO5 MolecularWeight: 538.07424

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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)OCC3=C(C=C(C=C3)Cl)OC)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)OCC3=C(C=C(C=C3)Cl)OC)CCC(=O)O)C

InChI

InChI=1S/C31H36ClNO5/c1-19(2)12-28(24-14-20(3)13-21(4)15-24)33-31(36)27-17-26(10-7-22(27)8-11-30(34)35)38-18-23-6-9-25(32)16-29(23)37-5/h6-7,9-10,13-17,19,28H,8,11-12,18H2,1-5H3,(H,33,36)(H,34,35)