[4-(6-propoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [4-(6-propoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-(6-propoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-(6-propoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl] ester IUPAC Name: [4-(6-propoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-(6-propoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl] ester Formula: C29H40N2O3 MolecularWeight: 464.6395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3NCC4=C(N3)C=CC(=C4)OCCC

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3NCC4=C(N3)C=CC(=C4)OCCC

InChI

InChI=1S/C29H40N2O3/c1-3-5-6-7-21-8-10-23(11-9-21)29(32)34-25-14-12-22(13-15-25)28-30-20-24-19-26(33-18-4-2)16-17-27(24)31-28/h12-17,19,21,23,28,30-31H,3-11,18,20H2,1-2H3