3-[2-[[3-methyl-1-(4-propylphenyl)butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[[3-methyl-1-(4-propylphenyl)butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[[3-methyl-1-(4-propylphenyl)butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[[[3-methyl-1-(4-propylphenyl)butyl]amino]-oxomethyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[[3-methyl-1-(4-propylphenyl)butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[[3-methyl-1-(4-propylphenyl)butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propionic acid Formula: C31H37NO4 MolecularWeight: 487.62978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C31H37NO4/c1-4-8-23-11-15-26(16-12-23)29(19-22(2)3)32-31(35)28-20-24(13-14-25(28)17-18-30(33)34)21-36-27-9-6-5-7-10-27/h5-7,9-16,20,22,29H,4,8,17-19,21H2,1-3H3,(H,32,35)(H,33,34)