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

Systemtic Name: 3-[4-(cyclopropylmethoxymethyl)-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-(cyclopropylmethoxymethyl)-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-(cyclopropylmethoxymethyl)-2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-(cyclopropylmethoxymethyl)-2-[(3-methyl-1-phenylbutyl)carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-(cyclopropylmethoxymethyl)-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propionic acid Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)COCC3CC3)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)COCC3CC3)CCC(=O)O

InChI

InChI=1S/C26H33NO4/c1-18(2)14-24(22-6-4-3-5-7-22)27-26(30)23-15-20(17-31-16-19-8-9-19)10-11-21(23)12-13-25(28)29/h3-7,10-11,15,18-19,24H,8-9,12-14,16-17H2,1-2H3,(H,27,30)(H,28,29)