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

Systemtic Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[(4-ethylphenyl)methoxy]phenyl]propanoic acid Openeye Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[(4-ethylphenyl)methoxy]phenyl]propanoic acid CAS Name: 3-[2-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]-4-[(4-ethylphenyl)methoxy]phenyl]propanoic acid IUPAC Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]-4-[(4-ethylphenyl)methoxy]phenyl]propanoic acid Traditional Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-(4-ethylbenzyl)oxy-phenyl]propionic acid Formula: C32H39NO4 MolecularWeight: 501.65636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)COC2=CC(=C(C=C2)CCC(=O)O)C(=O)NC(CC(C)C)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)COC2=CC(=C(C=C2)CCC(=O)O)C(=O)NC(CC(C)C)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C32H39NO4/c1-6-24-7-9-25(10-8-24)20-37-28-13-11-26(12-14-31(34)35)29(19-28)32(36)33-30(15-21(2)3)27-17-22(4)16-23(5)18-27/h7-11,13,16-19,21,30H,6,12,14-15,20H2,1-5H3,(H,33,36)(H,34,35)