6-[[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-oxidanyl-phosphoryl]oxyhexanoic acid

Systemtic Name: 6-[[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-oxidanyl-phosphoryl]oxyhexanoic acid Openeye Name: 6-[hydroxy-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]phosphoryl]oxyhexanoic acid CAS Name: 6-[hydroxy-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]phosphoryl]oxyhexanoic acid IUPAC Name: 6-[hydroxy-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]phosphoryl]oxyhexanoic acid Traditional Name: 6-[[5-carbomethoxy-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-hydroxy-phosphoryl]oxyhexanoic acid Formula: C21H27N2O9P MolecularWeight: 482.420841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)P(=O)(O)OCCCCCC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)P(=O)(O)OCCCCCC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H27N2O9P/c1-13-18(21(26)31-3)19(15-8-7-9-16(12-15)23(27)28)20(14(2)22-13)33(29,30)32-11-6-4-5-10-17(24)25/h7-9,12,19,22H,4-6,10-11H2,1-3H3,(H,24,25)(H,29,30)