methyl (2R)-2-[cyclohexen-1-yl-[(1R)-1-(2-methylphenyl)ethyl]amino]-3-iodanyl-propanoate

Systemtic Name: methyl (2R)-2-[cyclohexen-1-yl-[(1R)-1-(2-methylphenyl)ethyl]amino]-3-iodanyl-propanoate Openeye Name: methyl (2R)-2-[cyclohexen-1-yl-[(1R)-1-(o-tolyl)ethyl]amino]-3-iodo-propanoate CAS Name: (2R)-2-[1-cyclohexenyl-[(1R)-1-(2-methylphenyl)ethyl]amino]-3-iodopropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[cyclohexen-1-yl-[(1R)-1-(2-methylphenyl)ethyl]amino]-3-iodopropanoate Traditional Name: (2R)-2-[cyclohexen-1-yl-[(1R)-1-(o-tolyl)ethyl]amino]-3-iodo-propionic acid methyl ester Formula: C19H26INO2 MolecularWeight: 427.31971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)N(C2=CCCCC2)C(CI)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1[C@@H](C)N(C2=CCCCC2)[C@@H](CI)C(=O)OC

InChI

InChI=1S/C19H26INO2/c1-14-9-7-8-12-17(14)15(2)21(16-10-5-4-6-11-16)18(13-20)19(22)23-3/h7-10,12,15,18H,4-6,11,13H2,1-3H3/t15-,18+/m1/s1