[3-[[methyl-[4-(9-oxidanylidenexanthen-3-yl)oxybutyl]amino]methyl]phenyl] N-heptylcarbamate

Systemtic Name: [3-[[methyl-[4-(9-oxidanylidenexanthen-3-yl)oxybutyl]amino]methyl]phenyl] N-heptylcarbamate Openeye Name: [3-[[methyl-[4-(9-oxoxanthen-3-yl)oxybutyl]amino]methyl]phenyl] N-heptylcarbamate CAS Name: N-heptylcarbamic acid [3-[[methyl-[4-[(9-oxo-3-xanthenyl)oxy]butyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[methyl-[4-(9-oxoxanthen-3-yl)oxybutyl]amino]methyl]phenyl] N-heptylcarbamate Traditional Name: N-heptylcarbamic acid [3-[[4-(9-ketoxanthen-3-yl)oxybutyl-methyl-amino]methyl]phenyl] ester Formula: C33H40N2O5 MolecularWeight: 544.6811

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)OC1=CC=CC(=C1)CN(C)CCCCOC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3

Isomeric SMILES

CCCCCCCNC(=O)OC1=CC=CC(=C1)CN(C)CCCCOC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C33H40N2O5/c1-3-4-5-6-9-19-34-33(37)39-27-14-12-13-25(22-27)24-35(2)20-10-11-21-38-26-17-18-29-31(23-26)40-30-16-8-7-15-28(30)32(29)36/h7-8,12-18,22-23H,3-6,9-11,19-21,24H2,1-2H3,(H,34,37)