ethyl 4-[[(1S)-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-(furan-2-ylcarbonyl)amino]benzoate

Systemtic Name: ethyl 4-[[(1S)-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-(furan-2-ylcarbonyl)amino]benzoate Openeye Name: ethyl 4-[[(1S)-2-(cyclohexylamino)-2-oxo-1-(4-pyridyl)ethyl]-(furan-2-carbonyl)amino]benzoate CAS Name: 4-[[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-[2-furanyl(oxo)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-carbonyl)amino]benzoate Traditional Name: 4-[[(1S)-2-(cyclohexylamino)-2-keto-1-(4-pyridyl)ethyl]-(2-furoyl)amino]benzoic acid ethyl ester Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCCC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N([C@@H](C2=CC=NC=C2)C(=O)NC3CCCCC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C27H29N3O5/c1-2-34-27(33)20-10-12-22(13-11-20)30(26(32)23-9-6-18-35-23)24(19-14-16-28-17-15-19)25(31)29-21-7-4-3-5-8-21/h6,9-18,21,24H,2-5,7-8H2,1H3,(H,29,31)/t24-/m0/s1