1-(2-aminophenyl)-3-azanyl-3-(4-azanylbutyl)-5-(4-phenylmethoxyphenyl)pentane-2,4-dione

Systemtic Name: 1-(2-aminophenyl)-3-azanyl-3-(4-azanylbutyl)-5-(4-phenylmethoxyphenyl)pentane-2,4-dione Openeye Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(4-benzyloxyphenyl)pentane-2,4-dione CAS Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(4-phenylmethoxyphenyl)pentane-2,4-dione IUPAC Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(4-phenylmethoxyphenyl)pentane-2,4-dione Traditional Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(4-benzoxyphenyl)pentane-2,4-dione Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)C(CCCCN)(C(=O)CC3=CC=CC=C3N)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)C(CCCCN)(C(=O)CC3=CC=CC=C3N)N

InChI

InChI=1S/C28H33N3O3/c29-17-7-6-16-28(31,27(33)19-23-10-4-5-11-25(23)30)26(32)18-21-12-14-24(15-13-21)34-20-22-8-2-1-3-9-22/h1-5,8-15H,6-7,16-20,29-31H2