methyl 2-[(2-azanyl-2-cyclohexyl-ethanoyl)amino]-3-(3-iodanylphenyl)propanoate

Systemtic Name: methyl 2-[(2-azanyl-2-cyclohexyl-ethanoyl)amino]-3-(3-iodanylphenyl)propanoate Openeye Name: methyl 2-[(2-amino-2-cyclohexyl-acetyl)amino]-3-(3-iodophenyl)propanoate CAS Name: 2-[(2-amino-2-cyclohexyl-1-oxoethyl)amino]-3-(3-iodophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[(2-amino-2-cyclohexylacetyl)amino]-3-(3-iodophenyl)propanoate Traditional Name: 2-[(2-amino-2-cyclohexyl-acetyl)amino]-3-(3-iodophenyl)propionic acid methyl ester Formula: C18H25IN2O3 MolecularWeight: 444.30717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25IN2O3/c1-24-18(23)15(11-12-6-5-9-14(19)10-12)21-17(22)16(20)13-7-3-2-4-8-13/h5-6,9-10,13,15-16H,2-4,7-8,11,20H2,1H3,(H,21,22)