methyl 2-[[2-cyclohexyl-2-(hept-6-enoylamino)ethanoyl]amino]-3-(3-iodanylphenyl)propanoate

Systemtic Name: methyl 2-[[2-cyclohexyl-2-(hept-6-enoylamino)ethanoyl]amino]-3-(3-iodanylphenyl)propanoate Openeye Name: methyl 2-[[2-cyclohexyl-2-(hept-6-enoylamino)acetyl]amino]-3-(3-iodophenyl)propanoate CAS Name: 2-[[2-cyclohexyl-1-oxo-2-(1-oxohept-6-enylamino)ethyl]amino]-3-(3-iodophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-cyclohexyl-2-(hept-6-enoylamino)acetyl]amino]-3-(3-iodophenyl)propanoate Traditional Name: 2-[[2-cyclohexyl-2-(hept-6-enoylamino)acetyl]amino]-3-(3-iodophenyl)propionic acid methyl ester Formula: C25H35IN2O4 MolecularWeight: 554.46087

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=CC=C1)I)NC(=O)C(C2CCCCC2)NC(=O)CCCCC=C

Isomeric SMILES

COC(=O)C(CC1=CC(=CC=C1)I)NC(=O)C(C2CCCCC2)NC(=O)CCCCC=C

InChI

InChI=1S/C25H35IN2O4/c1-3-4-5-9-15-22(29)28-23(19-12-7-6-8-13-19)24(30)27-21(25(31)32-2)17-18-11-10-14-20(26)16-18/h3,10-11,14,16,19,21,23H,1,4-9,12-13,15,17H2,2H3,(H,27,30)(H,28,29)