[2-[3-(9-oxidanylidenexanthen-3-yl)oxypropyl]-3,4-dihydro-1H-isoquinolin-7-yl] N-methylcarbamate hydrochloride

Systemtic Name: [2-[3-(9-oxidanylidenexanthen-3-yl)oxypropyl]-3,4-dihydro-1H-isoquinolin-7-yl] N-methylcarbamate hydrochloride Openeye Name: [2-[3-(9-oxoxanthen-3-yl)oxypropyl]-3,4-dihydro-1H-isoquinolin-7-yl] N-methylcarbamate hydrochloride CAS Name: N-methylcarbamic acid [2-[3-[(9-oxo-3-xanthenyl)oxy]propyl]-3,4-dihydro-1H-isoquinolin-7-yl] ester hydrochloride IUPAC Name: [2-[3-(9-oxoxanthen-3-yl)oxypropyl]-3,4-dihydro-1H-isoquinolin-7-yl] N-methylcarbamate hydrochloride Traditional Name: N-methylcarbamic acid [2-[3-(9-ketoxanthen-3-yl)oxypropyl]-3,4-dihydro-1H-isoquinolin-7-yl] ester hydrochloride Formula: C27H27ClN2O5 MolecularWeight: 494.96668

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC1=CC2=C(CCN(C2)CCCOC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5O4)C=C1.Cl

Isomeric SMILES

CNC(=O)OC1=CC2=C(CCN(C2)CCCOC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5O4)C=C1.Cl

InChI

InChI=1S/C27H26N2O5.ClH/c1-28-27(31)33-21-8-7-18-11-13-29(17-19(18)15-21)12-4-14-32-20-9-10-23-25(16-20)34-24-6-3-2-5-22(24)26(23)30;/h2-3,5-10,15-16H,4,11-14,17H2,1H3,(H,28,31);1H