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

Systemtic Name: 3-[4-[(3-chloranyl-2-methyl-phenyl)methoxy]-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(3-chloro-2-methyl-phenyl)methoxy]-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(3-chloro-2-methylphenyl)methoxy]-2-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(3-chloro-2-methylphenyl)methoxy]-2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-(3-chloro-2-methyl-benzyl)oxy-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propionic acid Formula: C31H36ClNO4 MolecularWeight: 522.07484

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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(=CC=C3)Cl)C)CCC(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C31H36ClNO4/c1-19(2)13-29(25-15-20(3)14-21(4)16-25)33-31(36)27-17-26(11-9-23(27)10-12-30(34)35)37-18-24-7-6-8-28(32)22(24)5/h6-9,11,14-17,19,29H,10,12-13,18H2,1-5H3,(H,33,36)(H,34,35)