4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzoic acid

Systemtic Name: 4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzoic acid Openeye Name: 4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzoic acid CAS Name: 4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzoic acid IUPAC Name: 4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzoic acid Traditional Name: 4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzoic acid Formula: C23H30N2O2 MolecularWeight: 366.4965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCC(CC)CC1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H30N2O2/c1-3-5-6-16(4-2)13-17-7-12-21-20(14-17)15-24-22(25-21)18-8-10-19(11-9-18)23(26)27/h8-11,15-17H,3-7,12-14H2,1-2H3,(H,26,27)