1-[4-[(10-methylacridin-9-ylidene)methyl]phenoxy]henicosan-2-one

Systemtic Name: 1-[4-[(10-methylacridin-9-ylidene)methyl]phenoxy]henicosan-2-one Openeye Name: 1-[4-[(10-methylacridin-9-ylidene)methyl]phenoxy]henicosan-2-one CAS Name: 1-[4-[(10-methyl-9-acridinylidene)methyl]phenoxy]-2-heneicosanone IUPAC Name: 1-[4-[(10-methylacridin-9-ylidene)methyl]phenoxy]henicosan-2-one Traditional Name: 1-[4-[(10-methylacridin-9-ylidene)methyl]phenoxy]heneicosan-2-one Formula: C42H57NO2 MolecularWeight: 607.90748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)COC1=CC=C(C=C1)C=C2C3=CC=CC=C3N(C4=CC=CC=C42)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)COC1=CC=C(C=C1)C=C2C3=CC=CC=C3N(C4=CC=CC=C42)C

InChI

InChI=1S/C42H57NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-36(44)34-45-37-31-29-35(30-32-37)33-40-38-25-20-22-27-41(38)43(2)42-28-23-21-26-39(40)42/h20-23,25-33H,3-19,24,34H2,1-2H3