3-[[1-(3-methoxyphenyl)carbonyl-3-pyridin-4-ylcarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[[1-(3-methoxyphenyl)carbonyl-3-pyridin-4-ylcarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(3-methoxybenzoyl)-3-(pyridine-4-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(3-methoxyphenyl)-oxomethyl]-3-[oxo(pyridin-4-yl)methyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(3-methoxybenzoyl)-3-(pyridine-4-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[(1-isonicotinoyl-3-m-anisoyl-imidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propionic acid Formula: C27H25N5O8 MolecularWeight: 547.5161

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=NC=C4

InChI

InChI=1S/C27H25N5O8/c1-40-21-7-3-5-19(15-21)27(37)31-13-12-30(26(36)17-8-10-28-11-9-17)25(31)24(35)29-22(16-23(33)34)18-4-2-6-20(14-18)32(38)39/h2-11,14-15,22,25H,12-13,16H2,1H3,(H,29,35)(H,33,34)