tert-butyl N-[3-methyl-1-[5-(5-phenylpentanoyl)furan-2-yl]-5-phosphonato-pentan-3-yl]carbamate

Systemtic Name: tert-butyl N-[3-methyl-1-[5-(5-phenylpentanoyl)furan-2-yl]-5-phosphonato-pentan-3-yl]carbamate Openeye Name: tert-butyl N-[1-methyl-1-[2-[5-(5-phenylpentanoyl)-2-furyl]ethyl]-3-phosphonato-propyl]carbamate CAS Name: N-[3-methyl-1-[5-(1-oxo-5-phenylpentyl)-2-furanyl]-5-phosphonatopentan-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-methyl-1-[5-(5-phenylpentanoyl)furan-2-yl]-5-phosphonatopentan-3-yl]carbamate Traditional Name: N-[1-methyl-1-[2-[5-(5-phenylpentanoyl)-2-furyl]ethyl]-3-phosphonato-propyl]carbamic acid tert-butyl ester Formula: C26H36NO7P-2 MolecularWeight: 505.540301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C)(CCC1=CC=C(O1)C(=O)CCCCC2=CC=CC=C2)CCP(=O)([O-])[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(C)(CCC1=CC=C(O1)C(=O)CCCCC2=CC=CC=C2)CCP(=O)([O-])[O-]

InChI

InChI=1S/C26H38NO7P/c1-25(2,3)34-24(29)27-26(4,18-19-35(30,31)32)17-16-21-14-15-23(33-21)22(28)13-9-8-12-20-10-6-5-7-11-20/h5-7,10-11,14-15H,8-9,12-13,16-19H2,1-4H3,(H,27,29)(H2,30,31,32)/p-2