1-[5-ethanoyl-9-(4-hydroxyphenyl)carbonyl-1,5,9-triazacyclododec-1-yl]ethanone

Systemtic Name: 1-[5-ethanoyl-9-(4-hydroxyphenyl)carbonyl-1,5,9-triazacyclododec-1-yl]ethanone Openeye Name: 1-[5-acetyl-9-(4-hydroxybenzoyl)-1,5,9-triazacyclododec-1-yl]ethanone CAS Name: 1-[5-acetyl-9-[(4-hydroxyphenyl)-oxomethyl]-1,5,9-triazacyclododec-1-yl]ethanone IUPAC Name: 1-[5-acetyl-9-(4-hydroxybenzoyl)-1,5,9-triazacyclododec-1-yl]ethanone Traditional Name: 1-[5-acetyl-9-(4-hydroxybenzoyl)-1,5,9-triazacyclododec-1-yl]ethanone Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CCCN(CCC1)C(=O)C2=CC=C(C=C2)O)C(=O)C

Isomeric SMILES

CC(=O)N1CCCN(CCCN(CCC1)C(=O)C2=CC=C(C=C2)O)C(=O)C

InChI

InChI=1S/C20H29N3O4/c1-16(24)21-10-3-11-22(17(2)25)13-5-15-23(14-4-12-21)20(27)18-6-8-19(26)9-7-18/h6-9,26H,3-5,10-15H2,1-2H3