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

Systemtic Name: [3-[[methyl-[4-(9-oxidanylidenexanthen-3-yl)oxybut-2-ynyl]amino]methyl]phenyl] N-methylcarbamate Openeye Name: [3-[[methyl-[4-(9-oxoxanthen-3-yl)oxybut-2-ynyl]amino]methyl]phenyl] N-methylcarbamate CAS Name: N-methylcarbamic 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] N-methylcarbamate Traditional Name: N-methylcarbamic acid [3-[[4-(9-ketoxanthen-3-yl)oxybut-2-ynyl-methyl-amino]methyl]phenyl] ester Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC1=CC=CC(=C1)CN(C)CC#CCOC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3

Isomeric SMILES

CNC(=O)OC1=CC=CC(=C1)CN(C)CC#CCOC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C27H24N2O5/c1-28-27(31)33-21-9-7-8-19(16-21)18-29(2)14-5-6-15-32-20-12-13-23-25(17-20)34-24-11-4-3-10-22(24)26(23)30/h3-4,7-13,16-17H,14-15,18H2,1-2H3,(H,28,31)