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

Systemtic Name: [4-(6-octyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] pentyl carbonate Openeye Name: [4-(6-octyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] pentyl carbonate CAS Name: carbonic acid [4-(6-octyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] pentyl ester IUPAC Name: [4-(6-octyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] pentyl carbonate Traditional Name: carbonic acid amyl [4-(6-octyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] ester Formula: C28H40N2O3 MolecularWeight: 452.6288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OC(=O)OCCCCC

Isomeric SMILES

CCCCCCCCC1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OC(=O)OCCCCC

InChI

InChI=1S/C28H40N2O3/c1-3-5-7-8-9-10-12-22-13-18-26-24(20-22)21-29-27(30-26)23-14-16-25(17-15-23)33-28(31)32-19-11-6-4-2/h14-17,21-22H,3-13,18-20H2,1-2H3