4-[(8-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[(8-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]cyclohexanecarboxylic acid CAS Name: 4-[(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[(4-keto-8-methyl-5H-pyrimid[5,4-b]indol-3-yl)methyl]cyclohexanecarboxylic acid Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC4CCC(CC4)C(=O)O

InChI

InChI=1S/C19H21N3O3/c1-11-2-7-15-14(8-11)16-17(21-15)18(23)22(10-20-16)9-12-3-5-13(6-4-12)19(24)25/h2,7-8,10,12-13,21H,3-6,9H2,1H3,(H,24,25)