2-azanyl-5-iodanyl-N-[2-[[(3R)-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 2-azanyl-5-iodanyl-N-[2-[[(3R)-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 2-amino-N-[2-[[(3R)-1-[(4-hydroxy-3-methoxy-phenyl)methyl]pyrrolidin-3-yl]amino]-2-oxo-ethyl]-5-iodo-benzamide CAS Name: 2-amino-N-[2-[[(3R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-5-iodobenzamide IUPAC Name: 2-amino-N-[2-[[(3R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-iodobenzamide Traditional Name: 2-amino-5-iodo-N-[2-keto-2-[[(3R)-1-vanillylpyrrolidin-3-yl]amino]ethyl]benzamide Formula: C21H25IN4O4 MolecularWeight: 524.35207

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCC(C2)NC(=O)CNC(=O)C3=C(C=CC(=C3)I)N)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=C(C=CC(=C3)I)N)O

InChI

InChI=1S/C21H25IN4O4/c1-30-19-8-13(2-5-18(19)27)11-26-7-6-15(12-26)25-20(28)10-24-21(29)16-9-14(22)3-4-17(16)23/h2-5,8-9,15,27H,6-7,10-12,23H2,1H3,(H,24,29)(H,25,28)/t15-/m1/s1