3-[[1-(6-chloranylpyridin-3-yl)carbonyl-3-(3-methoxyphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-(6-chloranylpyridin-3-yl)carbonyl-3-(3-methoxyphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(6-chloropyridine-3-carbonyl)-3-(3-methoxybenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(6-chloro-3-pyridinyl)-oxomethyl]-3-[(3-methoxyphenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(6-chloropyridine-3-carbonyl)-3-(3-methoxybenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-(6-chloronicotinoyl)-3-m-anisoyl-imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C27H31ClN4O6 MolecularWeight: 543.01124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C27H31ClN4O6/c1-38-20-9-5-8-18(14-20)26(36)31-12-13-32(27(37)19-10-11-22(28)29-16-19)25(31)24(35)30-21(15-23(33)34)17-6-3-2-4-7-17/h5,8-11,14,16-17,21,25H,2-4,6-7,12-13,15H2,1H3,(H,30,35)(H,33,34)