2-[carboxymethyl-[2-[(2,6-diethyl-3-iodanyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[2-[(2,6-diethyl-3-iodanyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[2-(2,6-diethyl-3-iodo-anilino)-2-oxo-ethyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[2-(2,6-diethyl-3-iodoanilino)-2-oxoethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[2-(2,6-diethyl-3-iodoanilino)-2-oxoethyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[2-(2,6-diethyl-3-iodo-anilino)-2-keto-ethyl]amino]acetic acid Formula: C16H21IN2O5 MolecularWeight: 448.25281

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)I)CC)NC(=O)CN(CC(=O)O)CC(=O)O

Isomeric SMILES

CCC1=C(C(=C(C=C1)I)CC)NC(=O)CN(CC(=O)O)CC(=O)O

InChI

InChI=1S/C16H21IN2O5/c1-3-10-5-6-12(17)11(4-2)16(10)18-13(20)7-19(8-14(21)22)9-15(23)24/h5-6H,3-4,7-9H2,1-2H3,(H,18,20)(H,21,22)(H,23,24)