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

Systemtic Name: 4-[[2-[1-oxidanyl-3-(2-phenylmethoxyphenyl)-6-propan-2-ylimino-pyridin-2-yl]ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[3-(2-benzyloxyphenyl)-1-hydroxy-6-isopropylimino-2-pyridyl]acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[1-hydroxy-3-(2-phenylmethoxyphenyl)-6-propan-2-ylimino-2-pyridinyl]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[1-hydroxy-3-(2-phenylmethoxyphenyl)-6-propan-2-yliminopyridin-2-yl]acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[3-(2-benzoxyphenyl)-1-hydroxy-6-isopropylimino-2-pyridyl]acetyl]amino]methyl]benzoic acid Formula: C31H31N3O5 MolecularWeight: 525.59494

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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=C3OCC4=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=C3OCC4=CC=CC=C4

InChI

InChI=1S/C31H31N3O5/c1-21(2)33-29-17-16-25(26-10-6-7-11-28(26)39-20-23-8-4-3-5-9-23)27(34(29)38)18-30(35)32-19-22-12-14-24(15-13-22)31(36)37/h3-17,21,38H,18-20H2,1-2H3,(H,32,35)(H,36,37)