4-[[(E,4E)-4-(3,4-dihydro-2H-naphthalen-1-ylidene)-3-methyl-but-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E,4E)-4-(3,4-dihydro-2H-naphthalen-1-ylidene)-3-methyl-but-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E,4E)-3-methyl-4-tetralin-1-ylidene-but-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E,4E)-4-(3,4-dihydro-2H-naphthalen-1-ylidene)-3-methyl-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E,4E)-4-(3,4-dihydro-2H-naphthalen-1-ylidene)-3-methylbut-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E,4E)-3-methyl-4-tetralin-1-ylidene-but-2-enoyl]amino]benzoic acid Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=C(C=C1)C(=O)O)C=C2CCCC3=CC=CC=C32

Isomeric SMILES

C/C(=C\C(=O)NC1=CC=C(C=C1)C(=O)O)/C=C/2\CCCC3=CC=CC=C32

InChI

InChI=1S/C22H21NO3/c1-15(13-18-7-4-6-16-5-2-3-8-20(16)18)14-21(24)23-19-11-9-17(10-12-19)22(25)26/h2-3,5,8-14H,4,6-7H2,1H3,(H,23,24)(H,25,26)/b15-14+,18-13+