4-[(2-cyclohexa-1,5-dien-1-ylethylamino)methyl]benzoic acid

Systemtic Name: 4-[(2-cyclohexa-1,5-dien-1-ylethylamino)methyl]benzoic acid Openeye Name: 4-[(2-cyclohexa-1,5-dien-1-ylethylamino)methyl]benzoic acid CAS Name: 4-[[2-(1-cyclohexa-1,5-dienyl)ethylamino]methyl]benzoic acid IUPAC Name: 4-[(2-cyclohexa-1,5-dien-1-ylethylamino)methyl]benzoic acid Traditional Name: 4-[(2-cyclohexa-1,5-dien-1-ylethylamino)methyl]benzoic acid Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)CCNCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CC=C(C=C1)CCNCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H19NO2/c18-16(19)15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13/h2,4-9,17H,1,3,10-12H2,(H,18,19)