[3-[[3-(9-oxidanylidenexanthen-3-yl)oxypropyl-propan-2-yl-amino]methyl]phenyl] N-butylcarbamate

Systemtic Name: [3-[[3-(9-oxidanylidenexanthen-3-yl)oxypropyl-propan-2-yl-amino]methyl]phenyl] N-butylcarbamate Openeye Name: [3-[[isopropyl-[3-(9-oxoxanthen-3-yl)oxypropyl]amino]methyl]phenyl] N-butylcarbamate CAS Name: N-butylcarbamic acid [3-[[3-[(9-oxo-3-xanthenyl)oxy]propyl-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[3-(9-oxoxanthen-3-yl)oxypropyl-propan-2-ylamino]methyl]phenyl] N-butylcarbamate Traditional Name: N-butylcarbamic acid [3-[[isopropyl-[3-(9-ketoxanthen-3-yl)oxypropyl]amino]methyl]phenyl] ester Formula: C31H36N2O5 MolecularWeight: 516.62794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OC1=CC=CC(=C1)CN(CCCOC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3)C(C)C

Isomeric SMILES

CCCCNC(=O)OC1=CC=CC(=C1)CN(CCCOC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3)C(C)C

InChI

InChI=1S/C31H36N2O5/c1-4-5-16-32-31(35)37-25-11-8-10-23(19-25)21-33(22(2)3)17-9-18-36-24-14-15-27-29(20-24)38-28-13-7-6-12-26(28)30(27)34/h6-8,10-15,19-20,22H,4-5,9,16-18,21H2,1-3H3,(H,32,35)