6-[[2-azanyl-6-(1-oxidanylbutyl)phenyl]methyl]-6-ethyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 6-[[2-azanyl-6-(1-oxidanylbutyl)phenyl]methyl]-6-ethyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: 6-[[2-amino-6-(1-hydroxybutyl)phenyl]methyl]-6-ethyl-cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-[[2-amino-6-(1-hydroxybutyl)phenyl]methyl]-6-ethyl-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 6-[[2-amino-6-(1-hydroxybutyl)phenyl]methyl]-6-ethylcyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-[2-amino-6-(1-hydroxybutyl)benzyl]-6-ethyl-cyclohexa-2,4-diene-1-carboxylate Formula: C20H26NO3- MolecularWeight: 328.42534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C(=CC=C1)N)CC2(C=CC=CC2C(=O)[O-])CC)O

Isomeric SMILES

CCCC(C1=C(C(=CC=C1)N)CC2(C=CC=CC2C(=O)[O-])CC)O

InChI

InChI=1S/C20H27NO3/c1-3-8-18(22)14-9-7-11-17(21)15(14)13-20(4-2)12-6-5-10-16(20)19(23)24/h5-7,9-12,16,18,22H,3-4,8,13,21H2,1-2H3,(H,23,24)/p-1