3-[[2-(3-carbamimidoylphenyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]-5-[(2,6-dimethylpiperidin-1-yl)methyl]benzoic acid

Systemtic Name: 3-[[2-(3-carbamimidoylphenyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]-5-[(2,6-dimethylpiperidin-1-yl)methyl]benzoic acid Openeye Name: 3-[[2-(3-carbamimidoylphenyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-5-[(2,6-dimethyl-1-piperidyl)methyl]benzoic acid CAS Name: 3-[[2-(3-carbamimidoylphenyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-5-[(2,6-dimethyl-1-piperidinyl)methyl]benzoic acid IUPAC Name: 3-[[2-(3-carbamimidoylphenyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-5-[(2,6-dimethylpiperidin-1-yl)methyl]benzoic acid Traditional Name: 3-[[2-(3-amidinophenyl)-3-keto-1,4-benzoxazin-4-yl]methyl]-5-[(2,6-dimethylpiperidino)methyl]benzoic acid Formula: C31H34N4O4 MolecularWeight: 526.62606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CC2=CC(=CC(=C2)CN3C4=CC=CC=C4OC(C3=O)C5=CC=CC(=C5)C(=N)N)C(=O)O)C

Isomeric SMILES

CC1CCCC(N1CC2=CC(=CC(=C2)CN3C4=CC=CC=C4OC(C3=O)C5=CC=CC(=C5)C(=N)N)C(=O)O)C

InChI

InChI=1S/C31H34N4O4/c1-19-7-5-8-20(2)34(19)17-21-13-22(15-25(14-21)31(37)38)18-35-26-11-3-4-12-27(26)39-28(30(35)36)23-9-6-10-24(16-23)29(32)33/h3-4,6,9-16,19-20,28H,5,7-8,17-18H2,1-2H3,(H3,32,33)(H,37,38)