1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]indole-6-carboxylic acid

Systemtic Name: 1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]indole-6-carboxylic acid Openeye Name: 3-[2-hydroxy-2-oxo-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1-methyl-indole-6-carboxylic acid CAS Name: 3-[2-hydroxy-2-oxo-1-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]ethyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-[2-hydroxy-2-oxo-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1-methylindole-6-carboxylic acid Traditional Name: 3-[2-hydroxy-2-keto-1-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]ethyl]-1-methyl-indole-6-carboxylic acid Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H23N5O4/c1-24-13-16(15-5-4-14(19(27)28)12-17(15)24)18(20(29)30)25-8-3-9-26(11-10-25)21-22-6-2-7-23-21/h2,4-7,12-13,18H,3,8-11H2,1H3,(H,27,28)(H,29,30)