methyl (Z)-5-[(3-iodanyl-1H-indol-2-yl)carbonylamino]-2-phenylmethoxy-pent-2-enoate

Systemtic Name: methyl (Z)-5-[(3-iodanyl-1H-indol-2-yl)carbonylamino]-2-phenylmethoxy-pent-2-enoate Openeye Name: methyl (Z)-2-benzyloxy-5-[(3-iodo-1H-indole-2-carbonyl)amino]pent-2-enoate CAS Name: (Z)-5-[[(3-iodo-1H-indol-2-yl)-oxomethyl]amino]-2-phenylmethoxy-2-pentenoic acid methyl ester IUPAC Name: methyl (Z)-5-[(3-iodo-1H-indole-2-carbonyl)amino]-2-phenylmethoxypent-2-enoate Traditional Name: (Z)-2-benzoxy-5-[(3-iodo-1H-indole-2-carbonyl)amino]pent-2-enoic acid methyl ester Formula: C22H21IN2O4 MolecularWeight: 504.31761

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CCCNC(=O)C1=C(C2=CC=CC=C2N1)I)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)/C(=C/CCNC(=O)C1=C(C2=CC=CC=C2N1)I)/OCC3=CC=CC=C3

InChI

InChI=1S/C22H21IN2O4/c1-28-22(27)18(29-14-15-8-3-2-4-9-15)12-7-13-24-21(26)20-19(23)16-10-5-6-11-17(16)25-20/h2-6,8-12,25H,7,13-14H2,1H3,(H,24,26)/b18-12-