2-[3-[3-(3-azanylpropyl)-5,6-dimethoxy-1,2-benzoxazol-4-yl]propoxy]phenol

Systemtic Name: 2-[3-[3-(3-azanylpropyl)-5,6-dimethoxy-1,2-benzoxazol-4-yl]propoxy]phenol Openeye Name: 2-[3-[3-(3-aminopropyl)-5,6-dimethoxy-1,2-benzoxazol-4-yl]propoxy]phenol CAS Name: 2-[3-[3-(3-aminopropyl)-5,6-dimethoxy-1,2-benzoxazol-4-yl]propoxy]phenol IUPAC Name: 2-[3-[3-(3-aminopropyl)-5,6-dimethoxy-1,2-benzoxazol-4-yl]propoxy]phenol Traditional Name: 2-[3-[3-(3-aminopropyl)-5,6-dimethoxy-indoxazen-4-yl]propoxy]phenol Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)ON=C2CCCN)CCCOC3=CC=CC=C3O)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)ON=C2CCCN)CCCOC3=CC=CC=C3O)OC

InChI

InChI=1S/C21H26N2O5/c1-25-19-13-18-20(15(23-28-18)8-5-11-22)14(21(19)26-2)7-6-12-27-17-10-4-3-9-16(17)24/h3-4,9-10,13,24H,5-8,11-12,22H2,1-2H3