3-[[1-(1,3-benzodioxol-5-ylcarbonyl)-3-(3-methylphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-(1,3-benzodioxol-5-ylcarbonyl)-3-(3-methylphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(1,3-benzodioxole-5-carbonyl)-3-(3-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-[(3-methylphenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(1,3-benzodioxole-5-carbonyl)-3-(3-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-cyclohexyl-3-[(1-m-toluoyl-3-piperonyloyl-imidazolidine-2-carbonyl)amino]propionic acid Formula: C29H33N3O7 MolecularWeight: 535.58822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H33N3O7/c1-18-6-5-9-20(14-18)28(36)31-12-13-32(29(37)21-10-11-23-24(15-21)39-17-38-23)27(31)26(35)30-22(16-25(33)34)19-7-3-2-4-8-19/h5-6,9-11,14-15,19,22,27H,2-4,7-8,12-13,16-17H2,1H3,(H,30,35)(H,33,34)