2-[3-aminocarbonyl-4-(3-chloranyl-4-phosphonooxy-phenyl)-2-methyl-5-(2-methylpropyl)pyrrol-1-yl]ethyl dihydrogen phosphate

Systemtic Name: 2-[3-aminocarbonyl-4-(3-chloranyl-4-phosphonooxy-phenyl)-2-methyl-5-(2-methylpropyl)pyrrol-1-yl]ethyl dihydrogen phosphate Openeye Name: 2-[4-carbamoyl-3-(3-chloro-4-phosphonooxy-phenyl)-2-isobutyl-5-methyl-pyrrol-1-yl]ethyl dihydrogen phosphate CAS Name: 2-[3-carbamoyl-4-(3-chloro-4-phosphonooxyphenyl)-2-methyl-5-(2-methylpropyl)-1-pyrrolyl]ethyl dihydrogen phosphate IUPAC Name: 2-[3-carbamoyl-4-(3-chloro-4-phosphonooxyphenyl)-2-methyl-5-(2-methylpropyl)pyrrol-1-yl]ethyl dihydrogen phosphate Traditional Name: 2-[4-carbamoyl-3-(3-chloro-4-phosphonooxy-phenyl)-2-isobutyl-5-methyl-pyrrol-1-yl]ethyl dihydrogen phosphate Formula: C18H25ClN2O9P2 MolecularWeight: 510.799622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CCOP(=O)(O)O)CC(C)C)C2=CC(=C(C=C2)OP(=O)(O)O)Cl)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CCOP(=O)(O)O)CC(C)C)C2=CC(=C(C=C2)OP(=O)(O)O)Cl)C(=O)N

InChI

InChI=1S/C18H25ClN2O9P2/c1-10(2)8-14-17(12-4-5-15(13(19)9-12)30-32(26,27)28)16(18(20)22)11(3)21(14)6-7-29-31(23,24)25/h4-5,9-10H,6-8H2,1-3H3,(H2,20,22)(H2,23,24,25)(H2,26,27,28)