[3-[[methyl-[4-(9-oxidanylidenexanthen-3-yl)oxybut-2-ynyl]amino]methyl]phenyl] benzoate

Systemtic Name: [3-[[methyl-[4-(9-oxidanylidenexanthen-3-yl)oxybut-2-ynyl]amino]methyl]phenyl] benzoate Openeye Name: [3-[[methyl-[4-(9-oxoxanthen-3-yl)oxybut-2-ynyl]amino]methyl]phenyl] benzoate CAS Name: benzoic acid [3-[[methyl-[4-[(9-oxo-3-xanthenyl)oxy]but-2-ynyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[methyl-[4-(9-oxoxanthen-3-yl)oxybut-2-ynyl]amino]methyl]phenyl] benzoate Traditional Name: benzoic acid [3-[[4-(9-ketoxanthen-3-yl)oxybut-2-ynyl-methyl-amino]methyl]phenyl] ester Formula: C32H25NO5 MolecularWeight: 503.5446

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#CCOC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)CC4=CC(=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CN(CC#CCOC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)CC4=CC(=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H25NO5/c1-33(22-23-10-9-13-26(20-23)37-32(35)24-11-3-2-4-12-24)18-7-8-19-36-25-16-17-28-30(21-25)38-29-15-6-5-14-27(29)31(28)34/h2-6,9-17,20-21H,18-19,22H2,1H3