[4-azanyl-1-(3-hydroxyphenyl)-1-oxidanyl-6-phenyl-hexyl] 4-azanylbenzoate

Systemtic Name: [4-azanyl-1-(3-hydroxyphenyl)-1-oxidanyl-6-phenyl-hexyl] 4-azanylbenzoate Openeye Name: [4-amino-1-hydroxy-1-(3-hydroxyphenyl)-6-phenyl-hexyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [4-amino-1-hydroxy-1-(3-hydroxyphenyl)-6-phenylhexyl] ester IUPAC Name: [4-amino-1-hydroxy-1-(3-hydroxyphenyl)-6-phenylhexyl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [4-amino-1-hydroxy-1-(3-hydroxyphenyl)-6-phenyl-hexyl] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CCC(C2=CC(=CC=C2)O)(O)OC(=O)C3=CC=C(C=C3)N)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(CCC(C2=CC(=CC=C2)O)(O)OC(=O)C3=CC=C(C=C3)N)N

InChI

InChI=1S/C25H28N2O4/c26-21-13-10-19(11-14-21)24(29)31-25(30,20-7-4-8-23(28)17-20)16-15-22(27)12-9-18-5-2-1-3-6-18/h1-8,10-11,13-14,17,22,28,30H,9,12,15-16,26-27H2