5-[(4-dec-1-ynylphenyl)methyl-[(E)-3-phenylprop-2-enoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(4-dec-1-ynylphenyl)methyl-[(E)-3-phenylprop-2-enoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[(4-dec-1-ynylphenyl)methyl-[(E)-3-phenylprop-2-enoyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[(4-dec-1-ynylphenyl)methyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[(4-dec-1-ynylphenyl)methyl-[(E)-3-phenylprop-2-enoyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[(4-dec-1-ynylbenzyl)-[(E)-3-phenylacryloyl]amino]-2-hydroxy-benzoic acid Formula: C33H35NO4 MolecularWeight: 509.6353

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC=C(C=C1)CN(C2=CC(=C(C=C2)O)C(=O)O)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC#CC1=CC=C(C=C1)CN(C2=CC(=C(C=C2)O)C(=O)O)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C33H35NO4/c1-2-3-4-5-6-7-8-10-15-27-16-18-28(19-17-27)25-34(29-21-22-31(35)30(24-29)33(37)38)32(36)23-20-26-13-11-9-12-14-26/h9,11-14,16-24,35H,2-8,25H2,1H3,(H,37,38)/b23-20+