methyl 7-[2-(diphenylamino)phenyl]-7-oxidanylidene-hept-5-ynoate

Systemtic Name: methyl 7-[2-(diphenylamino)phenyl]-7-oxidanylidene-hept-5-ynoate Openeye Name: methyl 7-oxo-7-[2-(N-phenylanilino)phenyl]hept-5-ynoate CAS Name: 7-oxo-7-[2-(N-phenylanilino)phenyl]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-oxo-7-[2-(N-phenylanilino)phenyl]hept-5-ynoate Traditional Name: 7-keto-7-[2-(N-phenylanilino)phenyl]hept-5-ynoic acid methyl ester Formula: C26H23NO3 MolecularWeight: 397.46572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC#CC(=O)C1=CC=CC=C1N(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCC#CC(=O)C1=CC=CC=C1N(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H23NO3/c1-30-26(29)20-10-4-9-19-25(28)23-17-11-12-18-24(23)27(21-13-5-2-6-14-21)22-15-7-3-8-16-22/h2-3,5-8,11-18H,4,10,20H2,1H3