[3-azanyl-3-methyl-5-[1-methyl-5-(4-phenylbutanoyl)pyrrol-2-yl]pentyl]phosphonic acid

Systemtic Name: [3-azanyl-3-methyl-5-[1-methyl-5-(4-phenylbutanoyl)pyrrol-2-yl]pentyl]phosphonic acid Openeye Name: [3-amino-3-methyl-5-[1-methyl-5-(4-phenylbutanoyl)pyrrol-2-yl]pentyl]phosphonic acid CAS Name: [3-amino-3-methyl-5-[1-methyl-5-(1-oxo-4-phenylbutyl)-2-pyrrolyl]pentyl]phosphonic acid IUPAC Name: [3-amino-3-methyl-5-[1-methyl-5-(4-phenylbutanoyl)pyrrol-2-yl]pentyl]phosphonic acid Traditional Name: [3-amino-3-methyl-5-[1-methyl-5-(4-phenylbutanoyl)pyrrol-2-yl]pentyl]phosphonic acid Formula: C21H31N2O4P MolecularWeight: 406.455601

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(N1C)C(=O)CCCC2=CC=CC=C2)(CCP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(N1C)C(=O)CCCC2=CC=CC=C2)(CCP(=O)(O)O)N

InChI

InChI=1S/C21H31N2O4P/c1-21(22,15-16-28(25,26)27)14-13-18-11-12-19(23(18)2)20(24)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-12H,6,9-10,13-16,22H2,1-2H3,(H2,25,26,27)