8-azanyl-2-[(4-methoxyphenyl)amino]-3-oxidanylidene-4-[oxidanyl(4-phenylbutyl)phosphoryl]oxy-octanoic acid

Systemtic Name: 8-azanyl-2-[(4-methoxyphenyl)amino]-3-oxidanylidene-4-[oxidanyl(4-phenylbutyl)phosphoryl]oxy-octanoic acid Openeye Name: 8-amino-4-[hydroxy(4-phenylbutyl)phosphoryl]oxy-2-(4-methoxyanilino)-3-oxo-octanoic acid CAS Name: 8-amino-4-[hydroxy(4-phenylbutyl)phosphoryl]oxy-2-(4-methoxyanilino)-3-oxooctanoic acid IUPAC Name: 8-amino-4-[hydroxy(4-phenylbutyl)phosphoryl]oxy-2-(4-methoxyanilino)-3-oxooctanoic acid Traditional Name: 8-amino-4-[hydroxy(4-phenylbutyl)phosphoryl]oxy-3-keto-2-(p-anisidino)caprylic acid Formula: C25H35N2O7P MolecularWeight: 506.528361

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(C(=O)C(CCCCN)OP(=O)(CCCCC2=CC=CC=C2)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)NC(C(=O)C(CCCCN)OP(=O)(CCCCC2=CC=CC=C2)O)C(=O)O

InChI

InChI=1S/C25H35N2O7P/c1-33-21-15-13-20(14-16-21)27-23(25(29)30)24(28)22(12-5-7-17-26)34-35(31,32)18-8-6-11-19-9-3-2-4-10-19/h2-4,9-10,13-16,22-23,27H,5-8,11-12,17-18,26H2,1H3,(H,29,30)(H,31,32)