methyl 3-[[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-pyrazin-2-ylcarbonyl-amino]benzoate

Systemtic Name: methyl 3-[[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-pyrazin-2-ylcarbonyl-amino]benzoate Openeye Name: methyl 3-[[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-(pyrazine-2-carbonyl)amino]benzoate CAS Name: 3-[[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-[oxo(2-pyrazinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-(pyrazine-2-carbonyl)amino]benzoate Traditional Name: 3-[[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-keto-ethyl]-pyrazinoyl-amino]benzoic acid methyl ester Formula: C29H32N4O6 MolecularWeight: 532.58758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC=CC(=C3)C(=O)OC)C(=O)C4=NC=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC=CC(=C3)C(=O)OC)C(=O)C4=NC=CN=C4)OC

InChI

InChI=1S/C29H32N4O6/c1-37-24-13-12-19(17-25(24)38-2)26(27(34)32-21-9-5-4-6-10-21)33(28(35)23-18-30-14-15-31-23)22-11-7-8-20(16-22)29(36)39-3/h7-8,11-18,21,26H,4-6,9-10H2,1-3H3,(H,32,34)