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3,4-diheptyl-8-phenylazanyl-isochromen-1-one

3,4-diheptyl-8-phenylazanyl-isochromen-1-one

Systemtic Name:3,4-diheptyl-8-phenylazanyl-isochromen-1-one
Openeye Name:8-anilino-3,4-diheptyl-isochromen-1-one
CAS Name:8-anilino-3,4-diheptyl-2-benzopyran-1-one
IUPAC Name:8-anilino-3,4-diheptylisochromen-1-one
Traditional Name:8-anilino-3,4-diheptyl-isocoumarin
Formula: C29H39NO2
MolecularWeight: 433.62546
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(OC(=O)C2=C1C=CC=C2NC3=CC=CC=C3)CCCCCCC


Isomeric SMILES

CCCCCCCC1=C(OC(=O)C2=C1C=CC=C2NC3=CC=CC=C3)CCCCCCC


InChI

InChI=1S/C29H39NO2/c1-3-5-7-9-14-19-24-25-20-16-21-26(30-23-17-12-11-13-18-23)28(25)29(31)32-27(24)22-15-10-8-6-4-2/h11-13,16-18,20-21,30H,3-10,14-15,19,22H2,1-2H3


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