(13R)-13-(4-hydroxyphenyl)-9-[(Z)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one

Systemtic Name: (13R)-13-(4-hydroxyphenyl)-9-[(Z)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one Openeye Name: (13R)-13-(4-hydroxyphenyl)-9-[(Z)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one CAS Name: (13R)-13-(4-hydroxyphenyl)-9-[(Z)-1-oxo-3-phenylprop-2-enyl]-1,5,9-triazacyclotridecan-4-one IUPAC Name: (13R)-13-(4-hydroxyphenyl)-9-[(Z)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one Traditional Name: (13R)-13-(4-hydroxyphenyl)-9-[(Z)-3-phenylacryloyl]-1,5,9-triazacyclotridecan-4-one Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NCCC(=O)NCCCN(C1)C(=O)C=CC2=CC=CC=C2)C3=CC=C(C=C3)O

Isomeric SMILES

C1C[C@@H](NCCC(=O)NCCCN(C1)C(=O)/C=C\C2=CC=CC=C2)C3=CC=C(C=C3)O

InChI

InChI=1S/C25H31N3O3/c29-22-12-10-21(11-13-22)23-8-4-18-28(19-5-16-27-24(30)15-17-26-23)25(31)14-9-20-6-2-1-3-7-20/h1-3,6-7,9-14,23,26,29H,4-5,8,15-19H2,(H,27,30)/b14-9-/t23-/m1/s1