4-[[2-[1-oxidanyl-3-(2-phenoxyphenyl)-6-propan-2-ylimino-pyridin-2-yl]ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-[1-oxidanyl-3-(2-phenoxyphenyl)-6-propan-2-ylimino-pyridin-2-yl]ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[1-hydroxy-6-isopropylimino-3-(2-phenoxyphenyl)-2-pyridyl]acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[1-hydroxy-3-(2-phenoxyphenyl)-6-propan-2-ylimino-2-pyridinyl]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[1-hydroxy-3-(2-phenoxyphenyl)-6-propan-2-yliminopyridin-2-yl]acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[1-hydroxy-6-isopropylimino-3-(2-phenoxyphenyl)-2-pyridyl]acetyl]amino]methyl]benzoic acid Formula: C30H29N3O5 MolecularWeight: 511.56836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C1C=CC(=C(N1O)CC(=O)NCC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

CC(C)N=C1C=CC(=C(N1O)CC(=O)NCC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C30H29N3O5/c1-20(2)32-28-17-16-24(25-10-6-7-11-27(25)38-23-8-4-3-5-9-23)26(33(28)37)18-29(34)31-19-21-12-14-22(15-13-21)30(35)36/h3-17,20,37H,18-19H2,1-2H3,(H,31,34)(H,35,36)