methyl 3-[(1S)-1-ethyl-4-[(2-iodanylphenyl)amino]-2-oxidanylidene-cyclohex-3-en-1-yl]propanoate

Systemtic Name: methyl 3-[(1S)-1-ethyl-4-[(2-iodanylphenyl)amino]-2-oxidanylidene-cyclohex-3-en-1-yl]propanoate Openeye Name: methyl 3-[(1S)-1-ethyl-4-(2-iodoanilino)-2-oxo-cyclohex-3-en-1-yl]propanoate CAS Name: 3-[(1S)-1-ethyl-4-(2-iodoanilino)-2-oxo-1-cyclohex-3-enyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(1S)-1-ethyl-4-(2-iodoanilino)-2-oxocyclohex-3-en-1-yl]propanoate Traditional Name: 3-[(1S)-1-ethyl-4-(2-iodoanilino)-2-keto-cyclohex-3-en-1-yl]propionic acid methyl ester Formula: C18H22INO3 MolecularWeight: 427.27665

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(=CC1=O)NC2=CC=CC=C2I)CCC(=O)OC

Isomeric SMILES

CC[C@]1(CCC(=CC1=O)NC2=CC=CC=C2I)CCC(=O)OC

InChI

InChI=1S/C18H22INO3/c1-3-18(11-9-17(22)23-2)10-8-13(12-16(18)21)20-15-7-5-4-6-14(15)19/h4-7,12,20H,3,8-11H2,1-2H3/t18-/m0/s1