3,3-dimethyl-2-[3-(5-oxidanyldodecyl)phenyl]-2-(9H-xanthen-9-yl)butanamide

Systemtic Name: 3,3-dimethyl-2-[3-(5-oxidanyldodecyl)phenyl]-2-(9H-xanthen-9-yl)butanamide Openeye Name: 2-[3-(5-hydroxydodecyl)phenyl]-3,3-dimethyl-2-(9H-xanthen-9-yl)butanamide CAS Name: 2-[3-(5-hydroxydodecyl)phenyl]-3,3-dimethyl-2-(9H-xanthen-9-yl)butanamide IUPAC Name: 2-[3-(5-hydroxydodecyl)phenyl]-3,3-dimethyl-2-(9H-xanthen-9-yl)butanamide Traditional Name: 2-[3-(5-hydroxydodecyl)phenyl]-3,3-dimethyl-2-(9H-xanthen-9-yl)butyramide Formula: C37H49NO3 MolecularWeight: 555.78986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCCC1=CC(=CC=C1)C(C2C3=CC=CC=C3OC4=CC=CC=C24)(C(=O)N)C(C)(C)C)O

Isomeric SMILES

CCCCCCCC(CCCCC1=CC(=CC=C1)C(C2C3=CC=CC=C3OC4=CC=CC=C24)(C(=O)N)C(C)(C)C)O

InChI

InChI=1S/C37H49NO3/c1-5-6-7-8-9-20-29(39)21-11-10-17-27-18-16-19-28(26-27)37(35(38)40,36(2,3)4)34-30-22-12-14-24-32(30)41-33-25-15-13-23-31(33)34/h12-16,18-19,22-26,29,34,39H,5-11,17,20-21H2,1-4H3,(H2,38,40)