3-[2-[[3-methyl-1-(2,4,5-trimethoxyphenyl)butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[[3-methyl-1-(2,4,5-trimethoxyphenyl)butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[[3-methyl-1-(2,4,5-trimethoxyphenyl)butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[[[3-methyl-1-(2,4,5-trimethoxyphenyl)butyl]amino]-oxomethyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[[3-methyl-1-(2,4,5-trimethoxyphenyl)butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[(1-asaryl-3-methyl-butyl)carbamoyl]-4-(phenoxymethyl)phenyl]propionic acid Formula: C31H37NO7 MolecularWeight: 535.62798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC(=C(C=C1OC)OC)OC)NC(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC(=C(C=C1OC)OC)OC)NC(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C31H37NO7/c1-20(2)15-26(25-17-28(37-4)29(38-5)18-27(25)36-3)32-31(35)24-16-21(11-12-22(24)13-14-30(33)34)19-39-23-9-7-6-8-10-23/h6-12,16-18,20,26H,13-15,19H2,1-5H3,(H,32,35)(H,33,34)