4-[1-(1-phenylazanylcyclohexa-2,4-dien-1-yl)ethyl]benzoic acid

Systemtic Name: 4-[1-(1-phenylazanylcyclohexa-2,4-dien-1-yl)ethyl]benzoic acid Openeye Name: 4-[1-(1-anilinocyclohexa-2,4-dien-1-yl)ethyl]benzoic acid CAS Name: 4-[1-(1-anilino-1-cyclohexa-2,4-dienyl)ethyl]benzoic acid IUPAC Name: 4-[1-(1-anilinocyclohexa-2,4-dien-1-yl)ethyl]benzoic acid Traditional Name: 4-[1-(1-anilinocyclohexa-2,4-dien-1-yl)ethyl]benzoic acid Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)O)C2(CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)O)C2(CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C21H21NO2/c1-16(17-10-12-18(13-11-17)20(23)24)21(14-6-3-7-15-21)22-19-8-4-2-5-9-19/h2-14,16,22H,15H2,1H3,(H,23,24)