methyl 3-iodanyl-4-[[2-oxidanyl-5-[(E)-2-phenylethenyl]phenyl]methylamino]benzoate

Systemtic Name: methyl 3-iodanyl-4-[[2-oxidanyl-5-[(E)-2-phenylethenyl]phenyl]methylamino]benzoate Openeye Name: methyl 4-[[2-hydroxy-5-[(E)-styryl]phenyl]methylamino]-3-iodo-benzoate CAS Name: 4-[[2-hydroxy-5-[(E)-2-phenylethenyl]phenyl]methylamino]-3-iodobenzoic acid methyl ester IUPAC Name: methyl 4-[[2-hydroxy-5-[(E)-2-phenylethenyl]phenyl]methylamino]-3-iodobenzoate Traditional Name: 4-[[2-hydroxy-5-[(E)-styryl]benzyl]amino]-3-iodo-benzoic acid methyl ester Formula: C23H20INO3 MolecularWeight: 485.31427

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NCC2=C(C=CC(=C2)C=CC3=CC=CC=C3)O)I

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NCC2=C(C=CC(=C2)/C=C/C3=CC=CC=C3)O)I

InChI

InChI=1S/C23H20INO3/c1-28-23(27)18-10-11-21(20(24)14-18)25-15-19-13-17(9-12-22(19)26)8-7-16-5-3-2-4-6-16/h2-14,25-26H,15H2,1H3/b8-7+