methyl 3-[4-oxidanyl-3,5-bis[(phenylcarbamoylamino)methyl]phenyl]propanoate

Systemtic Name: methyl 3-[4-oxidanyl-3,5-bis[(phenylcarbamoylamino)methyl]phenyl]propanoate Openeye Name: methyl 3-[4-hydroxy-3,5-bis[(phenylcarbamoylamino)methyl]phenyl]propanoate CAS Name: 3-[3,5-bis[[[anilino(oxo)methyl]amino]methyl]-4-hydroxyphenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-hydroxy-3,5-bis[(phenylcarbamoylamino)methyl]phenyl]propanoate Traditional Name: 3-[4-hydroxy-3,5-bis[(phenylcarbamoylamino)methyl]phenyl]propionic acid methyl ester Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C(=C1)CNC(=O)NC2=CC=CC=C2)O)CNC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC1=CC(=C(C(=C1)CNC(=O)NC2=CC=CC=C2)O)CNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C26H28N4O5/c1-35-23(31)13-12-18-14-19(16-27-25(33)29-21-8-4-2-5-9-21)24(32)20(15-18)17-28-26(34)30-22-10-6-3-7-11-22/h2-11,14-15,32H,12-13,16-17H2,1H3,(H2,27,29,33)(H2,28,30,34)