3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-(9H-fluoren-2-ylmethoxy)phenyl]propanoic acid

Systemtic Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-(9H-fluoren-2-ylmethoxy)phenyl]propanoic acid Openeye Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-(9H-fluoren-2-ylmethoxy)phenyl]propanoic acid CAS Name: 3-[2-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]-4-(9H-fluoren-2-ylmethoxy)phenyl]propanoic acid IUPAC Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]-4-(9H-fluoren-2-ylmethoxy)phenyl]propanoic acid Traditional Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-(9H-fluoren-2-ylmethoxy)phenyl]propionic acid Formula: C37H39NO4 MolecularWeight: 561.70986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)OCC3=CC4=C(C=C3)C5=CC=CC=C5C4)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)OCC3=CC4=C(C=C3)C5=CC=CC=C5C4)CCC(=O)O)C

InChI

InChI=1S/C37H39NO4/c1-23(2)15-35(30-17-24(3)16-25(4)18-30)38-37(41)34-21-31(12-10-27(34)11-14-36(39)40)42-22-26-9-13-33-29(19-26)20-28-7-5-6-8-32(28)33/h5-10,12-13,16-19,21,23,35H,11,14-15,20,22H2,1-4H3,(H,38,41)(H,39,40)