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

Systemtic Name: 3-[4-benzamido-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-benzamido-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-benzamido-2-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-benzamido-2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-benzamido-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propionic acid Formula: C30H34N2O4 MolecularWeight: 486.60196

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N2O4/c1-19(2)14-27(24-16-20(3)15-21(4)17-24)32-30(36)26-18-25(12-10-22(26)11-13-28(33)34)31-29(35)23-8-6-5-7-9-23/h5-10,12,15-19,27H,11,13-14H2,1-4H3,(H,31,35)(H,32,36)(H,33,34)