4-chloranyl-2-[[(E)-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid

Systemtic Name: 4-chloranyl-2-[[(E)-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid Openeye Name: 4-chloro-2-[[(E)-3-(4-pentylphenyl)allyl]amino]benzoic acid CAS Name: 4-chloro-2-[[(E)-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[(E)-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(4-amylphenyl)allyl]amino]-4-chloro-benzoic acid Formula: C21H24ClNO2 MolecularWeight: 357.87376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C=CCNC2=C(C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)/C=C/CNC2=C(C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C21H24ClNO2/c1-2-3-4-6-16-8-10-17(11-9-16)7-5-14-23-20-15-18(22)12-13-19(20)21(24)25/h5,7-13,15,23H,2-4,6,14H2,1H3,(H,24,25)/b7-5+