N-[5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide dihydrate

Systemtic Name: N-[5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide dihydrate Openeye Name: N-[2-hydroxy-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]ethyl]phenyl]formamide dihydrate CAS Name: N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide dihydrate IUPAC Name: N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide dihydrate Traditional Name: N-[2-hydroxy-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]ethyl]phenyl]formamide dihydrate Formula: C19H28N2O6 MolecularWeight: 380.43542

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.O.O

Isomeric SMILES

CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.O.O

InChI

InChI=1S/C19H24N2O4.2H2O/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22;;/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22);2*1H2