methyl 2-[azanyl-[3-heptyl-1-(morpholin-4-ylcarbonylamino)cyclohexyl]carbonyl-amino]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[azanyl-[3-heptyl-1-(morpholin-4-ylcarbonylamino)cyclohexyl]carbonyl-amino]-2-phenyl-ethanoate Openeye Name: methyl 2-[amino-[3-heptyl-1-(morpholine-4-carbonylamino)cyclohexanecarbonyl]amino]-2-phenyl-acetate CAS Name: 2-[amino-[[3-heptyl-1-[[4-morpholinyl(oxo)methyl]amino]cyclohexyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[amino-[3-heptyl-1-(morpholine-4-carbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetate Traditional Name: 2-[amino-[3-heptyl-1-(morpholine-4-carbonylamino)cyclohexanecarbonyl]amino]-2-phenyl-acetic acid methyl ester Formula: C28H44N4O5 MolecularWeight: 516.67276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCCC(C1)(C(=O)N(C(C2=CC=CC=C2)C(=O)OC)N)NC(=O)N3CCOCC3

Isomeric SMILES

CCCCCCCC1CCCC(C1)(C(=O)N(C(C2=CC=CC=C2)C(=O)OC)N)NC(=O)N3CCOCC3

InChI

InChI=1S/C28H44N4O5/c1-3-4-5-6-8-12-22-13-11-16-28(21-22,30-27(35)31-17-19-37-20-18-31)26(34)32(29)24(25(33)36-2)23-14-9-7-10-15-23/h7,9-10,14-15,22,24H,3-6,8,11-13,16-21,29H2,1-2H3,(H,30,35)