(2R,3S)-3-oxidanyl-2-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one

Systemtic Name: (2R,3S)-3-oxidanyl-2-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one Openeye Name: (2R,3S)-3-hydroxy-2-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one CAS Name: (2R,3S)-3-hydroxy-9-[(E)-1-oxo-3-phenylprop-2-enyl]-2-phenyl-1,5,9-triazacyclotridecan-4-one IUPAC Name: (2R,3S)-3-hydroxy-2-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one Traditional Name: (2R,3S)-3-hydroxy-2-phenyl-9-[(E)-3-phenylacryloyl]-1,5,9-triazacyclotridecan-4-one Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CCCNC(=O)C(C(NC1)C2=CC=CC=C2)O)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CCN(CCCNC(=O)[C@H]([C@H](NC1)C2=CC=CC=C2)O)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O3/c29-22(15-14-20-10-3-1-4-11-20)28-18-8-7-16-26-23(21-12-5-2-6-13-21)24(30)25(31)27-17-9-19-28/h1-6,10-15,23-24,26,30H,7-9,16-19H2,(H,27,31)/b15-14+/t23-,24+/m1/s1