2-[(4-methoxyphenyl)-phenethyloxy-phosphoryl]-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[(4-methoxyphenyl)-phenethyloxy-phosphoryl]-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[(4-methoxyphenyl)-phenethyloxy-phosphoryl]-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid CAS Name: N-hydroxy-2-[(4-methoxyphenyl)-phenethyloxyphosphoryl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-hydroxy-2-[(4-methoxyphenyl)-phenethyloxyphosphoryl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[(4-methoxyphenyl)-phenethyloxy-phosphoryl]-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid Formula: C25H27N2O5P MolecularWeight: 466.466041

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)P(=O)(N2CC3=CC=CC=C3CC2C(=O)NO)OCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)P(=O)(N2CC3=CC=CC=C3CC2C(=O)NO)OCCC4=CC=CC=C4

InChI

InChI=1S/C25H27N2O5P/c1-31-22-11-13-23(14-12-22)33(30,32-16-15-19-7-3-2-4-8-19)27-18-21-10-6-5-9-20(21)17-24(27)25(28)26-29/h2-14,24,29H,15-18H2,1H3,(H,26,28)