[[1-azanyl-2-(2-methoxyphenyl)ethyl]amino] 3-iodanylbenzoate

Systemtic Name: [[1-azanyl-2-(2-methoxyphenyl)ethyl]amino] 3-iodanylbenzoate Openeye Name: [[1-amino-2-(2-methoxyphenyl)ethyl]amino] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [[1-amino-2-(2-methoxyphenyl)ethyl]amino] ester IUPAC Name: [[1-amino-2-(2-methoxyphenyl)ethyl]amino] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [[1-amino-2-(2-methoxyphenyl)ethyl]amino] ester Formula: C16H16IN2O3- MolecularWeight: 411.21431

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[C-](N)NOC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

COC1=CC=CC=C1C[C-](N)NOC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C16H16IN2O3/c1-21-14-8-3-2-5-11(14)10-15(18)19-22-16(20)12-6-4-7-13(17)9-12/h2-9,19H,10,18H2,1H3/q-1