[4-(6-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] hexyl carbonate

Systemtic Name: [4-(6-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] hexyl carbonate Openeye Name: [4-(6-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] hexyl carbonate CAS Name: carbonic acid [4-(6-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] hexyl ester IUPAC Name: [4-(6-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] hexyl carbonate Traditional Name: carbonic acid [4-(6-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] hexyl ester Formula: C25H34N2O3 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)OC1=CC=C(C=C1)C2=NC=C3CC(CCC3=N2)CCCC

Isomeric SMILES

CCCCCCOC(=O)OC1=CC=C(C=C1)C2=NC=C3CC(CCC3=N2)CCCC

InChI

InChI=1S/C25H34N2O3/c1-3-5-7-8-16-29-25(28)30-22-13-11-20(12-14-22)24-26-18-21-17-19(9-6-4-2)10-15-23(21)27-24/h11-14,18-19H,3-10,15-17H2,1-2H3