2-azanyl-3-(4-hydroxyphenyl)-N-[1-oxidanylidene-1-(phenethylamino)propan-2-yl]propanamide hydrate hydrochloride

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)-N-[1-oxidanylidene-1-(phenethylamino)propan-2-yl]propanamide hydrate hydrochloride Openeye Name: 2-amino-3-(4-hydroxyphenyl)-N-[1-methyl-2-oxo-2-(phenethylamino)ethyl]propanamide hydrate hydrochloride CAS Name: 2-amino-3-(4-hydroxyphenyl)-N-[1-oxo-1-(phenethylamino)propan-2-yl]propanamide hydrate hydrochloride IUPAC Name: 2-amino-3-(4-hydroxyphenyl)-N-[1-oxo-1-(phenethylamino)propan-2-yl]propanamide hydrate hydrochloride Traditional Name: 2-amino-3-(4-hydroxyphenyl)-N-[2-keto-1-methyl-2-(phenethylamino)ethyl]propionamide hydrate hydrochloride Formula: C20H28ClN3O4 MolecularWeight: 409.90702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)N.O.Cl

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)N.O.Cl

InChI

InChI=1S/C20H25N3O3.ClH.H2O/c1-14(19(25)22-12-11-15-5-3-2-4-6-15)23-20(26)18(21)13-16-7-9-17(24)10-8-16;;/h2-10,14,18,24H,11-13,21H2,1H3,(H,22,25)(H,23,26);1H;1H2