[3-(2-azanylethyl)-2-iodanyl-phenyl] 2-azanyl-4-(4-hydroxyphenyl)-3-methyl-4-oxidanyl-butanoate

Systemtic Name: [3-(2-azanylethyl)-2-iodanyl-phenyl] 2-azanyl-4-(4-hydroxyphenyl)-3-methyl-4-oxidanyl-butanoate Openeye Name: [3-(2-aminoethyl)-2-iodo-phenyl] 2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-methyl-butanoate CAS Name: 2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-methylbutanoic acid [3-(2-aminoethyl)-2-iodophenyl] ester IUPAC Name: [3-(2-aminoethyl)-2-iodophenyl] 2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-methylbutanoate Traditional Name: 2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-methyl-butyric acid [3-(2-aminoethyl)-2-iodo-phenyl] ester Formula: C19H23IN2O4 MolecularWeight: 470.30139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)O)O)C(C(=O)OC2=CC=CC(=C2I)CCN)N

Isomeric SMILES

CC(C(C1=CC=C(C=C1)O)O)C(C(=O)OC2=CC=CC(=C2I)CCN)N

InChI

InChI=1S/C19H23IN2O4/c1-11(18(24)13-5-7-14(23)8-6-13)17(22)19(25)26-15-4-2-3-12(9-10-21)16(15)20/h2-8,11,17-18,23-24H,9-10,21-22H2,1H3