[2-[[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]methyl]-3-(4-azanylphenoxy)-5-methoxy-phenyl] ethanoate

Systemtic Name: [2-[[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]methyl]-3-(4-azanylphenoxy)-5-methoxy-phenyl] ethanoate Openeye Name: [2-[[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]methyl]-3-(4-aminophenoxy)-5-methoxy-phenyl] acetate CAS Name: acetic acid [2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]-3-(4-aminophenoxy)-5-methoxyphenyl] ester IUPAC Name: [2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]-3-(4-aminophenoxy)-5-methoxyphenyl] acetate Traditional Name: acetic acid [2-[[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]methyl]-3-(4-aminophenoxy)-5-methoxy-phenyl] ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CC(=C1CNC(CC2=CC=CC=C2)C(=O)N)OC3=CC=C(C=C3)N)OC

Isomeric SMILES

CC(=O)OC1=CC(=CC(=C1CN[C@@H](CC2=CC=CC=C2)C(=O)N)OC3=CC=C(C=C3)N)OC

InChI

InChI=1S/C25H27N3O5/c1-16(29)32-23-13-20(31-2)14-24(33-19-10-8-18(26)9-11-19)21(23)15-28-22(25(27)30)12-17-6-4-3-5-7-17/h3-11,13-14,22,28H,12,15,26H2,1-2H3,(H2,27,30)/t22-/m0/s1