4-[2-[(5-oxidanyl-2-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)amino]ethyl]benzene-1,2-diol

Systemtic Name: 4-[2-[(5-oxidanyl-2-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)amino]ethyl]benzene-1,2-diol Openeye Name: 4-[2-[(5-hydroxy-2-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)amino]ethyl]benzene-1,2-diol CAS Name: 4-[2-[(5-hydroxy-2-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)amino]ethyl]benzene-1,2-diol IUPAC Name: 4-[2-[(5-hydroxy-2-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)amino]ethyl]benzene-1,2-diol Traditional Name: 4-[2-[(5-hydroxy-2-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)amino]ethyl]pyrocatechol Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=CC=CC=C2OC1C3=CC=CC=C3)O)NCCC4=CC(=C(C=C4)O)O

Isomeric SMILES

C1C(C(C2=CC=CC=C2OC1C3=CC=CC=C3)O)NCCC4=CC(=C(C=C4)O)O

InChI

InChI=1S/C24H25NO4/c26-20-11-10-16(14-21(20)27)12-13-25-19-15-23(17-6-2-1-3-7-17)29-22-9-5-4-8-18(22)24(19)28/h1-11,14,19,23-28H,12-13,15H2