4-azanyl-3-ethyl-6-[2-[(phenethylamino)methyl]phenyl]-5-propyl-benzene-1,2-diol

Systemtic Name: 4-azanyl-3-ethyl-6-[2-[(phenethylamino)methyl]phenyl]-5-propyl-benzene-1,2-diol Openeye Name: 4-amino-3-ethyl-6-[2-[(phenethylamino)methyl]phenyl]-5-propyl-benzene-1,2-diol CAS Name: 4-amino-3-ethyl-6-[2-[(phenethylamino)methyl]phenyl]-5-propylbenzene-1,2-diol IUPAC Name: 4-amino-3-ethyl-6-[2-[(phenethylamino)methyl]phenyl]-5-propylbenzene-1,2-diol Traditional Name: 4-amino-3-ethyl-6-[2-[(phenethylamino)methyl]phenyl]-5-propyl-pyrocatechol Formula: C26H32N2O2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=C1N)CC)O)O)C2=CC=CC=C2CNCCC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C(=C(C(=C1N)CC)O)O)C2=CC=CC=C2CNCCC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O2/c1-3-10-22-23(26(30)25(29)20(4-2)24(22)27)21-14-9-8-13-19(21)17-28-16-15-18-11-6-5-7-12-18/h5-9,11-14,28-30H,3-4,10,15-17,27H2,1-2H3